{"id":21934,"date":"2026-02-23T15:35:50","date_gmt":"2026-02-23T14:35:50","guid":{"rendered":"https:\/\/www.ehu.eus\/chemistry\/theory\/?p=21934"},"modified":"2026-02-27T19:52:32","modified_gmt":"2026-02-27T18:52:32","slug":"scientific-publications","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/","title":{"rendered":"KT Scientific Publications"},"content":{"rendered":"<div class=\"teachpress_pub_list\"><form name=\"tppublistform\" method=\"get\"><a name=\"tppubs\" id=\"tppubs\"><\/a><div class=\"tp_search_input\"><input name=\"tsr\" id=\"tp_search_input_field\" type=\"search\" placeholder=\"Enter search word\" value=\"\" tabindex=\"1\"\/><\/div><div class=\"teachpress_filter\"><select class=\"block\" title=\"All years\" name=\"yr\" id=\"yr\" tabindex=\"2\">\r\n                   <option value=\"\">All years<\/option>\r\n                   <option value=\"2026\" >2026<\/option><option value=\"2025\" >2025<\/option><option value=\"2024\" >2024<\/option><option value=\"2023\" >2023<\/option><option value=\"2022\" >2022<\/option><option value=\"2021\" >2021<\/option><option value=\"2020\" >2020<\/option><option value=\"2019\" >2019<\/option><option value=\"2018\" >2018<\/option><option value=\"2017\" >2017<\/option><option value=\"2016\" >2016<\/option><option value=\"2015\" >2015<\/option><option value=\"2014\" >2014<\/option><option value=\"2013\" >2013<\/option><option value=\"2012\" >2012<\/option><option value=\"2011\" >2011<\/option><option value=\"2010\" >2010<\/option><option value=\"2009\" >2009<\/option><option value=\"2008\" >2008<\/option><option value=\"2007\" >2007<\/option><option value=\"2006\" >2006<\/option><option value=\"2005\" >2005<\/option><option value=\"2004\" >2004<\/option><option value=\"2003\" >2003<\/option><option value=\"2002\" >2002<\/option><option value=\"2001\" >2001<\/option><option value=\"2000\" >2000<\/option><option value=\"1999\" >1999<\/option><option value=\"1998\" >1998<\/option><option value=\"1997\" >1997<\/option><option value=\"1996\" >1996<\/option><option value=\"1995\" >1995<\/option><option value=\"1994\" >1994<\/option><option value=\"1993\" >1993<\/option><option value=\"1992\" >1992<\/option><option value=\"1991\" >1991<\/option><option value=\"1990\" >1990<\/option><option value=\"1989\" >1989<\/option><option value=\"1988\" >1988<\/option><option value=\"1987\" >1987<\/option><option value=\"1985\" >1985<\/option><option value=\"0000\" >0000<\/option>\r\n                <\/select><select class=\"block\" title=\"All tags\" name=\"tgid\" id=\"tgid\" tabindex=\"4\">\r\n                   <option value=\"\">All tags<\/option>\r\n                   <option value=\"32\" >Bio-KT<\/option><option value=\"36\" >EJ1584<\/option><option value=\"37\" >IT2067<\/option><option value=\"31\" >MatCat-ExMat<\/option><option value=\"28\" >MatCat-HetCatEl<\/option><option value=\"26\" >MatCat-KT<\/option><option value=\"30\" >MatCat-NanoSurf<\/option><option value=\"17\" >Materials Chemistry<\/option><option value=\"35\" >MolEles-KT<\/option><option value=\"34\" >NOFT<\/option><option value=\"39\" >POL-KT<\/option><option value=\"38\" >QCD-KT<\/option><option value=\"7\" >Spectroscopy<\/option><option value=\"27\" >SUS-KT<\/option>\r\n                <\/select><select class=\"block\" title=\"All authors\" name=\"auth\" id=\"auth\" tabindex=\"5\">\r\n                   <option value=\"\">All authors<\/option>\r\n                   <option value=\"1093\" > (Late), Muhammad Ilyas Sarwar<\/option><option value=\"92\" > Aarabi, M.<\/option><option value=\"1066\" > Aarabi, Mohammad<\/option><option value=\"1527\" > Abadia, Mikel<\/option><option value=\"98\" > Abbas, M.<\/option><option value=\"673\" > Abbate, S.<\/option><option value=\"97\" > Abendroth, J. M.<\/option><option value=\"524\" > Aberamchuk, K.<\/option><option value=\"2313\" > Abeyasinghe, Neranga<\/option><option value=\"1267\" > Aduriz-Arrizabalaga, J.<\/option><option value=\"1052\" > Aduriz-Arrizabalaga, Julen<\/option><option value=\"99\" > Afanasev, A.<\/option><option value=\"1893\" > Agarrabeitia, Antonia R.<\/option><option value=\"100\" > Agarwal, S.<\/option><option value=\"947\" > Agirre, A.<\/option><option value=\"1049\" > Agirre, Amaia<\/option><option value=\"1815\" > Agrawal, Sraddha<\/option><option value=\"94\" > Aguado, M.<\/option><option value=\"578\" > Aguila, D.<\/option><option value=\"1107\" > Aguil\u00e0, David<\/option><option value=\"1833\" > Aguilar-Galindo, Fernando<\/option><option value=\"282\" > Aguirre, A.<\/option><option value=\"834\" > Aguirre, C.<\/option><option value=\"197\" > Aguirre, M.<\/option><option value=\"664\" > Aguirresarobe, R.<\/option><option value=\"176\" > Aguirresarobe, R. H.<\/option><option value=\"1175\" > Aguirresarobe, Robert<\/option><option value=\"96\" > Aiello, C. D.<\/option><option value=\"141\" > Aizpurua, J.<\/option><option value=\"1392\" > Aizpurua, Javier<\/option><option value=\"144\" > Akerlund, L.<\/option><option value=\"652\" > Akhmatskaya, E.<\/option><option value=\"1063\" > Akola, Jaakko<\/option><option value=\"1642\" > Al-Kaysi, Rabih O.<\/option><option value=\"1964\" > Alam, Bushra<\/option><option value=\"1468\" > Alam, Md Mehboob<\/option><option value=\"2397\" > Alam, P.<\/option><option value=\"2289\" > Alam, Parvej<\/option><option value=\"2328\" > Albrecht, Ben<\/option><option value=\"1965\" > Albrecht, Benjamin J.<\/option><option value=\"1010\" > Albrecht, M<\/option><option value=\"236\" > Alcalde, M.<\/option><option value=\"692\" > Aldaba, E.<\/option><option value=\"234\" > Aldazabal, L.<\/option><option value=\"1966\" > Aldossary, Abdulrahman<\/option><option value=\"317\" > Alegre-Cebollada, J.<\/option><option value=\"1046\" > Alegre-Cebollada, Jorge<\/option><option value=\"2427\" > Alemany, P<\/option><option value=\"2402\" > Alemany, P.<\/option><option value=\"2166\" > Alemany, Pere<\/option><option value=\"262\" > Alexandrova, A. N.<\/option><option value=\"1674\" > Alexeev, Yuri<\/option><option value=\"1277\" > Alexopoulos, Elias<\/option><option value=\"1169\" > Alfonso-Ramos, Javier E.<\/option><option value=\"1236\" > Alghrably, Mawadda<\/option><option value=\"1967\" > Alguire, Ethan<\/option><option value=\"1582\" > Ali-Torres, Jorge<\/option><option value=\"152\" > Alikhani, E.<\/option><option value=\"155\" > Alkorta, I.<\/option><option value=\"605\" > Allec, S. I.<\/option><option value=\"2228\" > Allec, Sarah I<\/option><option value=\"1113\" > Alli, I\u00f1igo V.<\/option><option value=\"1242\" > Almahasheer, Hanan<\/option><option value=\"986\" > Almandoz, N.<\/option><option value=\"158\" > Almenara, N.<\/option><option value=\"205\" > Alonso, A.<\/option><option value=\"2454\" > Alonso, Concepcion<\/option><option value=\"297\" > Alonso, J. A.<\/option><option value=\"1397\" > Alonso, Mercedes<\/option><option value=\"162\" > Alonso-Caballero, A.<\/option><option value=\"230\" > Alonso-Lerma, B.<\/option><option value=\"1254\" > Alonso-Lerma, Borja<\/option><option value=\"1212\" > Alonso-Martin, Sonia<\/option><option value=\"1824\" > Alonso-Navarro, Matias J.<\/option><option value=\"1334\" > Alonso\u2010Mart\u00edn, Sonia<\/option><option value=\"288\" > Alvarez, M. P.<\/option><option value=\"2286\" > Alvarez, Miriam Pena<\/option><option value=\"2428\" > Alvarez, S<\/option><option value=\"2295\" > Alvarez, Santiago<\/option><option value=\"1387\" > Amenabar, Iban<\/option><option value=\"1675\" > Amsler, Maximilian<\/option><option value=\"175\" > An, X. W.<\/option><option value=\"395\" > Analytis, J. G.<\/option><option value=\"1968\" > Andersen, Josefine H.<\/option><option value=\"408\" > Andrada, D. M.<\/option><option value=\"181\" > Andrade-Sampedro, P.<\/option><option value=\"1013\" > Andreasson, J<\/option><option value=\"1889\" > Andres, Aitor Diaz<\/option><option value=\"384\" > Andres, J.<\/option><option value=\"1480\" > Andres, Juan<\/option><option value=\"183\" > Andrews, L.<\/option><option value=\"2447\" > Angeli, Jos\u00e9 P. Friedmann<\/option><option value=\"210\" > Angelis, F. De<\/option><option value=\"1873\" > Angulo-Portugal, Paula<\/option><option value=\"2175\" > Aparicio, Borja<\/option><option value=\"828\" > Aquilante, F.<\/option><option value=\"2314\" > Arago, Juan<\/option><option value=\"188\" > Aragones, A. C.<\/option><option value=\"178\" > Aramburu, N.<\/option><option value=\"2266\" > Aratani, Naoki<\/option><option value=\"189\" > Aravena, D.<\/option><option value=\"235\" > Arbulu, M.<\/option><option value=\"196\" > Argaiz, M.<\/option><option value=\"933\" > Argent, S. P.<\/option><option value=\"314\" > Ariotti, N.<\/option><option value=\"1172\" >de Armas, Carlos M.<\/option><option value=\"533\" > Armentrout, P. B.<\/option><option value=\"328\" > Arnau, A.<\/option><option value=\"1534\" > Arnau, Andres<\/option><option value=\"2448\" > Arn\u00e9r, Elias S. J.<\/option><option value=\"464\" > Arno, M. C.<\/option><option value=\"582\" > Aromi, G.<\/option><option value=\"1111\" > Arom\u00ed, Guillem<\/option><option value=\"199\" > Arrastia, I.<\/option><option value=\"1234\" > Arriaga, Aitor<\/option><option value=\"200\" > Arrieta, A.<\/option><option value=\"343\" > Arrigoni, F.<\/option><option value=\"541\" > Arriortua, M. 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Janaarthana<\/option><option value=\"494\" > Bachor, R.<\/option><option value=\"2386\" > Baer, Roi<\/option><option value=\"1409\" > Bahamonde, Ana<\/option><option value=\"1808\" > Baikie, Tomi K.<\/option><option value=\"1189\" > Bajew, Simon<\/option><option value=\"1512\" > Bakouri, Ouissam El<\/option><option value=\"1282\" > Balahoju, Shivaprasad Achary<\/option><option value=\"224\" > Balk, R.<\/option><option value=\"217\" > Ballard, N.<\/option><option value=\"1074\" > Ballard, Nicholas<\/option><option value=\"1071\" > Ballester-Bayarri, Laura<\/option><option value=\"1371\" > Ballesteros, \u00d3scar R.<\/option><option value=\"826\" > Bals, S.<\/option><option value=\"1320\" > Banales, Jesus M.<\/option><option value=\"596\" > Bandeira, N. A.<\/option><option value=\"536\" > Bandeira, N. A. G.<\/option><option value=\"223\" > Bandiera, M.<\/option><option value=\"678\" > Bandyopadhyay, D.<\/option><option value=\"101\" > Banerjee, A. S.<\/option><option value=\"680\" > Banerjee, S.<\/option><option value=\"226\" > Bankiewicz, B.<\/option><option value=\"665\" > Bara, J.<\/option><option value=\"1340\" > Baraldi, Alessandro<\/option><option value=\"233\" > Barandiaran, L.<\/option><option value=\"225\" > Barandiaran, M. J.<\/option><option value=\"869\" > Barbarin, I.<\/option><option value=\"2293\" > Barbatti, Mario<\/option><option value=\"1408\" > Bardeen, Christopher J.<\/option><option value=\"1224\" > Barone, Giampaolo<\/option><option value=\"228\" > Barquero, A.<\/option><option value=\"1048\" > Barquero, Aitor<\/option><option value=\"2411\" > Barral, M. Carmen<\/option><option value=\"1668\" > Barrejon, Myriam<\/option><option value=\"2440\" > Barrett, Madeleine S.<\/option><option value=\"54\" > Barrett, P.<\/option><option value=\"537\" > Barrientos, C.<\/option><option value=\"576\" > Barrios, L. A.<\/option><option value=\"1105\" > Barrios, Leon\u00ed A.<\/option><option value=\"1676\" > Barroca, Marco Antonio<\/option><option value=\"1562\" > Barroso, Juan M.<\/option><option value=\"1602\" > Barroso, Juan Manuel<\/option><option value=\"420\" > Barroso-Bujans, F.<\/option><option value=\"1230\" > Barroso-Bujans, Fabienne<\/option><option value=\"1133\" > Barroso\u2010Bujans, Fabienne<\/option><option value=\"229\" > Barruetabena, N.<\/option><option value=\"1970\" > Barton, Dennis<\/option><option value=\"906\" > Base, T.<\/option><option value=\"1677\" > Bassini, Sanzio<\/option><option value=\"1202\" > Bastian, Alexandra<\/option><option value=\"1208\" > Bastida-Lertxundi, Nerea<\/option><option value=\"1678\" > Battelle, Torey<\/option><option value=\"323\" > Bauer, P.<\/option><option value=\"1531\" > Bazarnik, Maciej<\/option><option value=\"239\" > Beardmore, J.<\/option><option value=\"1473\" > Beaujean, Pierre<\/option><option value=\"1469\" > Beerepoot, Maarten T. P.<\/option><option value=\"1971\" > Begam, Khadiza<\/option><option value=\"1972\" > Behn, Andrew<\/option><option value=\"1506\" > Behzadi, Hadi<\/option><option value=\"1810\" > Beljonne, David<\/option><option value=\"2101\" > Bell, Alexis T.<\/option><option value=\"2407\" > Bell, Franziska<\/option><option value=\"103\" > Belling, J. N.<\/option><option value=\"944\" > Bello, T.<\/option><option value=\"1973\" > Bellonzi, Nicole<\/option><option value=\"1370\" > Beloqui, Ana<\/option><option value=\"1353\" > Beloqui, Jos\u00e9 M. Mar\u00edn<\/option><option value=\"894\" > Bendazzoli, G. L.<\/option><option value=\"1364\" > Benitez, Francisca J.<\/option><option value=\"942\" > Benito, A. M.<\/option><option value=\"1240\" > Bennici, Giulia<\/option><option value=\"2330\" > Beran, Gregory J. O.<\/option><option value=\"102\" > Beratan, D. 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F.<\/option><option value=\"1283\" > Bhattacharjee, Nicholus<\/option><option value=\"677\" > Bhattacharya, A.<\/option><option value=\"679\" > Bhattacharyya, D.<\/option><option value=\"919\" > Bickelhaupt, F. M.<\/option><option value=\"1611\" > Bickelhaupt, FM<\/option><option value=\"241\" > Bilbao-Ubillos, J.<\/option><option value=\"74\" > Bittner, A. M.<\/option><option value=\"1310\" > Bittner, Alexander M.<\/option><option value=\"550\" > Blackburn, G. M.<\/option><option value=\"1067\" > Blackmore, William J. A.<\/option><option value=\"1588\" > Blancafort, Lluis<\/option><option value=\"1452\" > Blanchard-Desce, Mireille<\/option><option value=\"454\" > Blanco, N. G.<\/option><option value=\"669\" > Blanco, V.<\/option><option value=\"1332\" > Blanco\u2010Ma\u00f1ez, Rosana<\/option><option value=\"1216\" > Bl\u00e1zquez, Lorea<\/option><option value=\"929\" > Blundell, T. J.<\/option><option value=\"581\" > Bo, C.<\/option><option value=\"1110\" > Bo, Carles<\/option><option value=\"2436\" > Bofill, JM<\/option><option value=\"287\" > Boismenu-Lavoie, J.<\/option><option value=\"1647\" > Boismenu-Lavoie, Joel<\/option><option value=\"57\" > Boldyrev, A. I.<\/option><option value=\"1478\" > Boldyrev, Alexander I<\/option><option value=\"1544\" > Boldyrev, Alexander I.<\/option><option value=\"29\" > Bolte, M.<\/option><option value=\"1184\" > Bonfil-Rivera, Iv\u00e1n A.<\/option><option value=\"1096\" > Bonfil-Rivera, Iv\u00e1n Alejandro<\/option><option value=\"973\" > Bossion, A.<\/option><option value=\"105\" > Botana, A.<\/option><option value=\"1391\" > Boto, Roberto A.<\/option><option value=\"1324\" > Bouchard, Louis-S.<\/option><option value=\"1143\" > Boulehjour, Hanae<\/option><option value=\"1357\" > Boutou, \u00c9lodie<\/option><option value=\"59\" > Boyd, R. J.<\/option><option value=\"1314\" > Braconi, Chiara<\/option><option value=\"148\" > Brandell, D.<\/option><option value=\"2332\" > Brandhorst, Kai<\/option><option value=\"1576\" > Braun, Beatrice<\/option><option value=\"1521\" > Braunschweig, Holger<\/option><option value=\"2103\" > Bravaya, Ksenia B.<\/option><option value=\"1533\" > Brede, Jens<\/option><option value=\"1347\" > Bresme, Fernando<\/option><option value=\"1654\" > Brigiano, Flavio Siro<\/option><option value=\"40\" > Brinck, T.<\/option><option value=\"396\" > Britt, R. 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V.<\/option><option value=\"1114\" > Bustos, Itxaso<\/option><option value=\"2406\" > Butcher, J. Raymond<\/option><option value=\"2169\" > Buyanova, Irina A.<\/option><option value=\"1296\" > Caballero-Camino, Francisco J.<\/option><option value=\"268\" > Cabanero, G.<\/option><option value=\"2392\" > Cabau, Lydia<\/option><option value=\"18\" > Cabellos, J. L.<\/option><option value=\"1566\" > Cabellos, Jose Luis<\/option><option value=\"381\" > Cal, J. C.<\/option><option value=\"383\" > Calatayud, M.<\/option><option value=\"1366\" > Calder\u00f3n, Marcelo<\/option><option value=\"330\" > Calhorda, M. J.<\/option><option value=\"505\" > Caltagirone, C.<\/option><option value=\"1373\" > Calupitan, Jan Patrick<\/option><option value=\"1515\" > Calvello, Simone<\/option><option value=\"310\" > Calvo, E.<\/option><option value=\"824\" > Calvo, U.<\/option><option value=\"1380\" > Calvo, Unai<\/option><option value=\"1886\" > Calzolari, Alessandro<\/option><option value=\"354\" > Camara, O.<\/option><option value=\"545\" > Campo, J. M.<\/option><option value=\"1098\" >del Campo, Jorge M.<\/option><option value=\"1679\" > Camps, Daan<\/option><option value=\"1903\" > Canard, Gabriel<\/option><option value=\"940\" > Canton-Vitoria, R.<\/option><option value=\"1142\" > Cap\u00f3, Nuria<\/option><option value=\"491\" > Cappai, R.<\/option><option value=\"106\" > Caram, J. R.<\/option><option value=\"1223\" > Carballo, Romina R.<\/option><option value=\"1482\" > Carbo-Dorca, Ramon<\/option><option value=\"1374\" > Carreras, Abel<\/option><option value=\"238\" > Carrion-Vazquez, M.<\/option><option value=\"1361\" > Cartagena, Manuel Eduardo Martinez<\/option><option value=\"1977\" > Carter-Fenk, Kevin<\/option><option value=\"1135\" > Casademont-Reig, Irene<\/option><option value=\"291\" > Casado, J.<\/option><option value=\"1000\" > Casado, Juan<\/option><option value=\"147\" > Casado, N.<\/option><option value=\"2426\" > Casanova, D<\/option><option value=\"245\" > Casanova, D.<\/option><option value=\"1001\" > Casanova, David<\/option><option value=\"1257\" > Casares, Salvador<\/option><option value=\"521\" > Castagnola, M.<\/option><option value=\"1413\" > Castet, Fr\u00e9d\u00e9ric<\/option><option value=\"654\" > Castillo, R.<\/option><option value=\"1\" > Castro, A. 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K.<\/option><option value=\"1867\" > Chekulaev, Dimitri<\/option><option value=\"1920\" > Chen, Jinquan<\/option><option value=\"964\" > Chen, Q. W.<\/option><option value=\"1125\" > Chen, Qi-Wei<\/option><option value=\"1923\" > Chen, Weimin M.<\/option><option value=\"2335\" > Chen, Yunqing<\/option><option value=\"1483\" > Chermette, Henry<\/option><option value=\"1637\" > Chiara, Jose Luis<\/option><option value=\"1635\" > Chiara, Maria-Dolores<\/option><option value=\"474\" > Chiatti, F.<\/option><option value=\"1979\" > Chien, Alan D.<\/option><option value=\"2336\" > Chien, Siu Hung<\/option><option value=\"397\" > Chilton, N. F.<\/option><option value=\"1027\" > Chilton, Nicholas F.<\/option><option value=\"251\" > Chiodo, S.<\/option><option value=\"2379\" > Chipman, Daniel M.<\/option><option value=\"1805\" > Cho, Changsoon<\/option><option value=\"1801\" > Cho, Hwan-Hee<\/option><option value=\"1405\" > Cho, Sunghwan<\/option><option value=\"394\" > Choi, E. S.<\/option><option value=\"845\" > Choi, S. C.<\/option><option value=\"1680\" > Choi, Young Jay<\/option><option value=\"1467\" > Choluj, Marta<\/option><option value=\"1681\" > Chong, Frederic T.<\/option><option value=\"1627\" > Chou, Keng C.<\/option><option value=\"2401\" > Choudhury, A. R.<\/option><option value=\"2292\" > Choudhury, Angshuman Roy<\/option><option value=\"2163\" > Chowdhury, Rajdeep<\/option><option value=\"2223\" > Christensen, Peter R.<\/option><option value=\"1594\" > Christiansen, Ove<\/option><option value=\"2224\" > Chronister, Eric L.<\/option><option value=\"1906\" > Chu, Weibin<\/option><option value=\"1682\" > Chung, Charles<\/option><option value=\"988\" > Chuvilin, A.<\/option><option value=\"668\" > Cienfuegos, L. A.<\/option><option value=\"1484\" > Cioslowski, Jerzy<\/option><option value=\"2434\" > Cirera, J<\/option><option value=\"817\" > Cizaurre, J.<\/option><option value=\"816\" > Claes, N.<\/option><option value=\"1826\" > Clarke, Tracey M.<\/option><option value=\"931\" > Cliffe, M. J.<\/option><option value=\"2399\" > Climent, C.<\/option><option value=\"1673\" > Climent, Claudia<\/option><option value=\"1980\" > Closser, Kristina D.<\/option><option value=\"1094\" > Cochran, Eric W.<\/option><option value=\"1683\" > Codella, Christopher<\/option><option value=\"1981\" > Cofer-Shabica, Vale<\/option><option value=\"857\" > Collavini, S.<\/option><option value=\"1575\" > Company, Anna<\/option><option value=\"1924\" > Conaghan, Patrick J.<\/option><option value=\"513\" > Congiu, T.<\/option><option value=\"504\" > Coni, P.<\/option><option value=\"1322\" > Contreras-Garc\u00eda, Julia<\/option><option value=\"1944\" > Coons, Marc P.<\/option><option value=\"1485\" > Cooper, David L.<\/option><option value=\"1684\" > Corcoles, Antonio D.<\/option><option value=\"559\" > Corella-Madueno, A.<\/option><option value=\"2106\" > Coriani, Sonia<\/option><option value=\"2310\" > Corminboeuf, Clemence<\/option><option value=\"475\" > Corno, M.<\/option><option value=\"182\" > Correa, A.<\/option><option value=\"980\" > Correia, I.<\/option><option value=\"165\" > Corsetti, F.<\/option><option value=\"1836\" > Corso, Martina<\/option><option value=\"415\" > Cortajarena, A. L.<\/option><option value=\"1181\" > Cortajarena, Aitziber L.<\/option><option value=\"499\" > Cosentino, S.<\/option><option value=\"256\" > Cossio, F.<\/option><option value=\"79\" > Cossio, F. P.<\/option><option value=\"1319\" > Coss\u00edo, Fernando P.<\/option><option value=\"70\" > Costa, D.<\/option><option value=\"439\" > Coulembier, O.<\/option><option value=\"82\" > Cozar, A.<\/option><option value=\"83\" > Cozar, A. De<\/option><option value=\"1061\" >de C\u00f3zar, Abel<\/option><option value=\"2107\" > Cramer, Christopher J.<\/option><option value=\"1019\" > Crespo, Olga<\/option><option value=\"2337\" > Crittenden, Deborah L.<\/option><option value=\"1039\" > Crousilles, Audrey<\/option><option value=\"1685\" > Cruise, James<\/option><option value=\"2220\" > Cruz, Chad D.<\/option><option value=\"258\" > Cruz, E. M.<\/option><option value=\"1669\" > Cruz, Pilar La<\/option><option value=\"2108\" > Cserey, Gyorgy<\/option><option value=\"1633\" > Cubiella, Tamara<\/option><option value=\"450\" > Cuerva, J. M.<\/option><option value=\"1925\" > Cui, Lin-Song<\/option><option value=\"261\" > Cui, Z. H.<\/option><option value=\"108\" > Cuniberti, G.<\/option><option value=\"2196\" > D'Aleo, Anthony<\/option><option value=\"2201\" > D'Ambrosio, Kyle M.<\/option><option value=\"850\" > Dabbish, E.<\/option><option value=\"1885\" > Dai, Yasi<\/option><option value=\"1018\" > Dalmau, David<\/option><option value=\"864\" > Dam, H. J. J. Van<\/option><option value=\"1187\" > Damborenea, Alberto<\/option><option value=\"2398\" > Das, P.<\/option><option value=\"2304\" > Das, Soumyajit<\/option><option value=\"1447\" > Dasgupta, Jyotishman<\/option><option value=\"1982\" > Dasgupta, Saswata<\/option><option value=\"2294\" > Dash, Subhra<\/option><option value=\"1278\" > Daudo, Shifaa S. A. Xec<\/option><option value=\"1250\" > David, Gr\u00e9goire<\/option><option value=\"932\" > Davies, E. S.<\/option><option value=\"1348\" > Dawber, Matthew<\/option><option value=\"623\" > Debatin, M.<\/option><option value=\"2210\" > DeFrancisco, Justin R.<\/option><option value=\"903\" > Deirmenjian, J. M.<\/option><option value=\"78\" > Dejaegere, A.<\/option><option value=\"572\" > Delbosc, N.<\/option><option value=\"863\" > Delgado, J. L.<\/option><option value=\"1100\" > Delgado, Javier<\/option><option value=\"462\" > Demarteau, J.<\/option><option value=\"1945\" > Dempwolff, Adrian L.<\/option><option value=\"38\" > Demurget, N.<\/option><option value=\"1984\" > Deng, Jia<\/option><option value=\"2109\" > DePrince, A. Eugene III<\/option><option value=\"1395\" > Desmedt, Eline<\/option><option value=\"285\" > Desroches, M.<\/option><option value=\"2285\" > Desroches, Maude<\/option><option value=\"359\" > Detrembleur, C.<\/option><option value=\"1522\" > Dewhurst, Rian D.<\/option><option value=\"1444\" > Dey, Nilanjan<\/option><option value=\"2237\" > Di, Chong-an<\/option><option value=\"110\" > Dianat, A.<\/option><option value=\"2433\" > Diaz, C<\/option><option value=\"996\" > Diaz-Andres, Aitor<\/option><option value=\"1166\" > D\u00edaz-Fern\u00e1ndez, Lourdes A.<\/option><option value=\"292\" > Dibak, M.<\/option><option value=\"1985\" > Diedenhofen, Michael<\/option><option value=\"807\" > Diefenbach, M.<\/option><option value=\"296\" > Diez, R. P.<\/option><option value=\"1385\" > D\u00edez-Ahedo, Ruth<\/option><option value=\"111\" > Diez-Perez, I.<\/option><option value=\"1639\" > Dillon, Robert J.<\/option><option value=\"423\" > Dinadayalane, T. C.<\/option><option value=\"41\" > Diner, P.<\/option><option value=\"2258\" > Ding, Jun<\/option><option value=\"963\" > Ding, Y. S.<\/option><option value=\"1124\" > Ding, You-Song<\/option><option value=\"298\" > Dinner, A. R.<\/option><option value=\"2110\" > DiStasio, Robert A. Jr.<\/option><option value=\"888\" > Divakar, K.<\/option><option value=\"1986\" > Do, Hainam<\/option><option value=\"300\" > Domagala, M.<\/option><option value=\"879\" > Dominguez, F.<\/option><option value=\"1101\" > Dominguez, Fernando<\/option><option value=\"95\" > Dominguez, L.<\/option><option value=\"1651\" > Dominguez-Ojeda, Eduardo<\/option><option value=\"11\" > Donald, K. J.<\/option><option value=\"2303\" > Dong, Shao-qiang<\/option><option value=\"339\" > Dove, A. P.<\/option><option value=\"921\" > Dreuw, A.<\/option><option value=\"2111\" > Dreuw, Andreas<\/option><option value=\"1427\" > Driess, Matthias<\/option><option value=\"1857\" > Drummond, Bluebell H.<\/option><option value=\"2296\" > Dryzun, Chaim<\/option><option value=\"1243\" > Duarte, Carlos M.<\/option><option value=\"301\" > Dubis, A. T.<\/option><option value=\"627\" > Dumergue, M.<\/option><option value=\"920\" > Dunietz, B.<\/option><option value=\"2112\" > Dunietz, Barry D.<\/option><option value=\"1505\" > Duong, Long Van<\/option><option value=\"1687\" > Duran, Ivan<\/option><option value=\"1608\" > Duran, M<\/option><option value=\"351\" > Duran, M.<\/option><option value=\"1596\" > Duran, Miguel<\/option><option value=\"1514\" > Duran, Miquel<\/option><option value=\"2338\" > Dutoi, Anthony D.<\/option><option value=\"1862\" > Dyakonov, Vladimir<\/option><option value=\"302\" > Dyck, O.<\/option><option value=\"2439\" > E, Matito<\/option><option value=\"2438\" > E., Ramos-Cordoba<\/option><option value=\"2445\" > Eberle, Jonas<\/option><option value=\"306\" > Echarri, A.<\/option><option value=\"329\" > Echenique, P. M.<\/option><option value=\"554\" > Echevarria, L.<\/option><option value=\"1653\" > Echeverri, Andrea<\/option><option value=\"2408\" > Echeverria, Jorge<\/option><option value=\"2155\" > Ecija, David<\/option><option value=\"1688\" > Eckl, Thomas<\/option><option value=\"1689\" > Economou, Sophia<\/option><option value=\"321\" > Eder, K.<\/option><option value=\"2339\" > Edgar, Richard G.<\/option><option value=\"460\" > Edhaim, F.<\/option><option value=\"1399\" > Eeckhoudt, Jochen<\/option><option value=\"832\" > Egurbide, M. V.<\/option><option value=\"1381\" > Egurrola, Jose Javier<\/option><option value=\"1987\" > Ehlert, Sebastian<\/option><option value=\"1690\" > Eidenbenz, Stephan<\/option><option value=\"1309\" > Eleta-Lopez, Aitziber<\/option><option value=\"156\" > Elguero, J.<\/option><option value=\"1173\" > Elizalde, Fermin<\/option><option value=\"455\" > Elizalde, O.<\/option><option value=\"271\" > Elleuchi, S.<\/option><option value=\"1691\" > Elmegreen, Bruce<\/option><option value=\"1210\" > Elortza, Felix<\/option><option value=\"58\" > Elorza, J. M.<\/option><option value=\"145\" > Emanuelsson, R.<\/option><option value=\"520\" > Emwas, A. H.<\/option><option value=\"1244\" > Emwas, Abdul-Hamid<\/option><option value=\"1937\" > Epifanovsky, Evgeny<\/option><option value=\"1193\" > Epure, Diana<\/option><option value=\"331\" > Erice, A.<\/option><option value=\"46\" > Eriksson, L. A.<\/option><option value=\"867\" > Es, S.<\/option><option value=\"1429\" > Escayola, Silva<\/option><option value=\"1141\" > Escayola, S\u00edlvia<\/option><option value=\"651\" > Escribano, B.<\/option><option value=\"1389\" > Espina, Jorge<\/option><option value=\"2275\" > Esteban, Ruben<\/option><option value=\"216\" > Etgar, L.<\/option><option value=\"895\" > Evangelisti, S.<\/option><option value=\"1813\" > Evans, Emrys W.<\/option><option value=\"240\" > Exley, C.<\/option><option value=\"515\" > Faa, G.<\/option><option value=\"1905\" > Fages, Frederic<\/option><option value=\"512\" > Fais, S.<\/option><option value=\"2391\" > Falceto, Andres<\/option><option value=\"1672\" > Fanckevicius, Marius<\/option><option value=\"1988\" > Fang, Po-Tung<\/option><option value=\"2188\" > Fang, Wei-Hai<\/option><option value=\"337\" > Fanjul-Mosteirin, N.<\/option><option value=\"516\" > Fanni, D.<\/option><option value=\"2143\" > Faraji, Shirin<\/option><option value=\"1692\" > Fare, Clyde<\/option><option value=\"629\" > Farkas, B.<\/option><option value=\"1693\" > Faro, Ismael<\/option><option value=\"1989\" > Fatehi, Shervin<\/option><option value=\"374\" > Faza, A. N.<\/option><option value=\"1536\" > Faza, Olalla Nieto<\/option><option value=\"1909\" > Feist, Johannes<\/option><option value=\"340\" > Feixas, F.<\/option><option value=\"1459\" > Feixas, Ferran<\/option><option value=\"342\" > Felbek, C.<\/option><option value=\"1990\" > Feng, Qingguo<\/option><option value=\"1939\" > Feng, Xintian<\/option><option value=\"456\" > Fernandez, A.<\/option><option value=\"1694\" > Fernandez, Cristina Sanz<\/option><option value=\"12\" > Fernandez-Berridi, M. J.<\/option><option value=\"1253\" > Fernandez-Calvo, Alba<\/option><option value=\"211\" > Fernandez-Herrera, M. A.<\/option><option value=\"560\" > Fernandez-Rico, J.<\/option><option value=\"2241\" > Fernandez-Rossier, J.<\/option><option value=\"242\" > Fernandez-Sainz, A.<\/option><option value=\"990\" > Fernandez-Serra, M. 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R.<\/option><option value=\"1331\" > Fores\u2010Toribio, Lorena<\/option><option value=\"22\" > Formoso, E.<\/option><option value=\"1034\" > Formoso, Elena<\/option><option value=\"985\" > Foroutan-Nejad, C.<\/option><option value=\"1415\" > Foroutan-Nejad, Cina<\/option><option value=\"1092\" > Forrester, Michael J.<\/option><option value=\"1517\" > Fortenberry, Ryan C.<\/option><option value=\"345\" > Fourmond, V.<\/option><option value=\"16\" > Fowler, J. E.<\/option><option value=\"350\" > Fradera, X.<\/option><option value=\"1547\" > Francisco, Evelio<\/option><option value=\"1656\" > Franckevicius, Marius<\/option><option value=\"1255\" > Franco, David<\/option><option value=\"1183\" > Franco, Lizeth<\/option><option value=\"893\" > Francois, G.<\/option><option value=\"2206\" > Frantz, Derik K.<\/option><option value=\"2202\" > Frederickson, Conerd K.<\/option><option value=\"160\" > Freixa, Z.<\/option><option value=\"1116\" > Freixa, Zoraida<\/option><option value=\"26\" > Frenking, G.<\/option><option value=\"1138\" > Frenking, Gernot<\/option><option value=\"1991\" > Friedhoff, Triet<\/option><option value=\"1844\" > Friedrich, Niklas<\/option><option value=\"1812\" > Friend, Richard H.<\/option><option value=\"411\" > Frison, G.<\/option><option value=\"880\" > Frisso, G.<\/option><option value=\"2249\" > Fu, Mingxing<\/option><option value=\"949\" >la Fuente, J. A. M. De<\/option><option value=\"1171\" > Fuentes, Mar\u00eda E.<\/option><option value=\"2453\" > Fuertes, Maria<\/option><option value=\"1696\" > Fuji, Keisuke<\/option><option value=\"1697\" > Fuller, Bryce<\/option><option value=\"800\" > Fuller, J. T.<\/option><option value=\"2113\" > Furlani, Thomas R.<\/option><option value=\"153\" > Fuster, F.<\/option><option value=\"2340\" > Fusti-Molnar, Laszlo<\/option><option value=\"604\" > Gagliardi, L.<\/option><option value=\"1698\" > Gagliardi, Laura<\/option><option value=\"812\" > Gaigeot, M. P.<\/option><option value=\"1201\" > Gaina, Gisela<\/option><option value=\"444\" > Galan, E. H.<\/option><option value=\"352\" > Galdeano, M.<\/option><option value=\"231\" > Galera-Prat, A.<\/option><option value=\"353\" > Gallastegui, A.<\/option><option value=\"1154\" > Gallego, Marta<\/option><option value=\"1699\" > Galli, Giulia<\/option><option value=\"1883\" > Gamez, Fernando Gordillo<\/option><option value=\"1946\" > Gan, Zhengting<\/option><option value=\"1386\" > G\u00e1rate, Eider<\/option><option value=\"575\" > Garay-Ruiz, D.<\/option><option value=\"1104\" > Garay-Ruiz, Diego<\/option><option value=\"15\" > Garcia, A.<\/option><option value=\"206\" > Garcia, J. A.<\/option><option value=\"1329\" > Garc\u00eda, Juan Carlos Jim\u00e9nez<\/option><option value=\"360\" > Garcia, M. A.<\/option><option value=\"1455\" > Garcia, Victor<\/option><option value=\"946\" > Garcia, W.<\/option><option value=\"203\" > Garcia-Arribas, A. B.<\/option><option value=\"1513\" > Garcia-Borras, Marc<\/option><option value=\"109\" > Garcia-Etxarri, A.<\/option><option value=\"1525\" > Garcia-Fernandez, C.<\/option><option value=\"842\" > Garcia-Garcia, F. J.<\/option><option value=\"309\" > Garcia-Garcia, M.<\/option><option value=\"924\" > Garcia-Lekue, A.<\/option><option value=\"1139\" > Garcia-Lekue, Aran<\/option><option value=\"1911\" > Garcia-Moreno, Inmaculada<\/option><option value=\"882\" > Garcia-Pavia, P.<\/option><option value=\"1044\" > Garcia-Pavia, Pablo<\/option><option value=\"1200\" > Garc\u00eda-Puga, Mikel<\/option><option value=\"1910\" > Garcia-Vidal, Francisco J.<\/option><option value=\"416\" > Garino, C.<\/option><option value=\"159\" > Garralda, M. A.<\/option><option value=\"448\" > Gastearena, X.<\/option><option value=\"1131\" > Gastearena, Xuban<\/option><option value=\"1881\" > Gately, Thomas J.<\/option><option value=\"479\" > Gates, B. C.<\/option><option value=\"1486\" > Gatti, Carlo<\/option><option value=\"805\" > Gauss, J.<\/option><option value=\"2160\" > Gautam, Diplesh<\/option><option value=\"237\" > Gavira, J. A.<\/option><option value=\"1388\" > Gay, Ralph<\/option><option value=\"1992\" > Gayvert, James<\/option><option value=\"1222\" > Gaztelumendi, Lander<\/option><option value=\"1993\" > Ge, Qinghui<\/option><option value=\"928\" > Geer, A. M.<\/option><option value=\"1402\" > Geerlings, Paul<\/option><option value=\"365\" > Geethalakshmi, K. R.<\/option><option value=\"1211\" > Gere\u00f1u, Gorka<\/option><option value=\"93\" > Gholami, S.<\/option><option value=\"1065\" > Gholami, Samira<\/option><option value=\"2322\" > Ghosh, Debashree<\/option><option value=\"519\" > Ghosh, M.<\/option><option value=\"2248\" > Ghosh, Munmun<\/option><option value=\"1806\" > Ghosh, Pratyush<\/option><option value=\"2341\" > Ghysels, An<\/option><option value=\"1804\" > Giannini, Samuele<\/option><option value=\"507\" > Gibson, D.<\/option><option value=\"1994\" > Gidofalvi, Gergely<\/option><option value=\"367\" > Giese, T. J.<\/option><option value=\"1178\" > Gigmes, Didier<\/option><option value=\"273\" > Gil, A.<\/option><option value=\"1270\" > Gil, Adria<\/option><option value=\"1938\" > Gilbert, Andrew T. B.<\/option><option value=\"690\" > Gill, P. M. W.<\/option><option value=\"2144\" > Gill, Peter M. W.<\/option><option value=\"1921\" > Gillett, Alexander J.<\/option><option value=\"1273\" > Gilliard, Robert J.<\/option><option value=\"829\" > Gimenez, E.<\/option><option value=\"192\" > Gimeno, N.<\/option><option value=\"1160\" > Gimferrer, M.<\/option><option value=\"1902\" > Giorgi, Michel<\/option><option value=\"195\" > Giralt, E.<\/option><option value=\"1577\" > Glaser, Thorsten<\/option><option value=\"1700\" > Glick, Jennifer R.<\/option><option value=\"1701\" > Gobbi, Isacco<\/option><option value=\"2114\" > Goddard, William A. III<\/option><option value=\"1702\" > Gokhale, Pranav<\/option><option value=\"1995\" > Goldey, Matthew<\/option><option value=\"887\" > Golla, H.<\/option><option value=\"324\" > Golser, R.<\/option><option value=\"2342\" > Golubeva-Zadorozhnaya, Anna<\/option><option value=\"1996\" > Gomes, Joe<\/option><option value=\"2343\" > Gomes, Joseph<\/option><option value=\"289\" > Gomes-Garcia, C. J.<\/option><option value=\"2287\" > Gomes-Garcia, Carlos J.<\/option><option value=\"974\" > Gomez-Bengoa, E.<\/option><option value=\"2186\" > Gomez-Cadenas, Juan J.<\/option><option value=\"2204\" > Gomez-Garcia, Carlos J.<\/option><option value=\"207\" > Goni, F. M.<\/option><option value=\"143\" > Gonzalez, A.<\/option><option value=\"1291\" > Gonz\u00e1lez, Alba<\/option><option value=\"380\" > Gonzalez, G.<\/option><option value=\"1997\" > Gonzalez-Espinoza, Cristina E.<\/option><option value=\"382\" > Gonzalez-Navarrete, P.<\/option><option value=\"2319\" > Goodson, Theodore III<\/option><option value=\"2214\" > Gopalakrishna, Tullimilli Y.<\/option><option value=\"386\" > Gora, R. W.<\/option><option value=\"2380\" > Gordon, Mark S.<\/option><option value=\"1802\" > Gorgon, Sebastian<\/option><option value=\"899\" > Goronzy, D. P.<\/option><option value=\"1411\" > Goto, Selom J.<\/option><option value=\"356\" > Goujon, N.<\/option><option value=\"1055\" > Goujon, Nicolas<\/option><option value=\"388\" > Gould, C. A.<\/option><option value=\"1875\" > Gourdon, Andre<\/option><option value=\"848\" > Gouverneur, V.<\/option><option value=\"400\" > Grabowski, S.<\/option><option value=\"24\" > Grabowski, S. J.<\/option><option value=\"1028\" > Grabowski, S\u0142awomir J.<\/option><option value=\"682\" > Gracia, R.<\/option><option value=\"2410\" > Graetzel, Mihael<\/option><option value=\"1155\" > Grajales\u2010Hern\u00e1ndez, Daniel A.<\/option><option value=\"334\" > Grande, H. J.<\/option><option value=\"17\" > Grande-Aztatzi, R.<\/option><option value=\"1128\" > Grande-Aztatzi, Rafael<\/option><option value=\"1271\" > Grande\u2010Aztazi, Rafael<\/option><option value=\"861\" > Gratzel, M.<\/option><option value=\"421\" > Grayson, S. M.<\/option><option value=\"1435\" > Grebol-Tomas, Joan<\/option><option value=\"1811\" > Greenham, Neil C.<\/option><option value=\"368\" > Gregersen, B. A.<\/option><option value=\"1704\" > Greiner, Johannes<\/option><option value=\"1652\" > Gromova, Marina<\/option><option value=\"1705\" > Gropp, Bill<\/option><option value=\"1706\" > Grossi, Michele<\/option><option value=\"1856\" > Grune, Jeannine<\/option><option value=\"426\" > Gruner, B.<\/option><option value=\"827\" > Grzelczak, M.<\/option><option value=\"843\" > Grzeliczak, M.<\/option><option value=\"2216\" > Gu, Yanwei<\/option><option value=\"1605\" > Guell, Mireia<\/option><option value=\"1251\" > Guennic, Boris Le<\/option><option value=\"1168\" > Guerra-Barroso, Alberto<\/option><option value=\"854\" > Guerrero, A. G.<\/option><option value=\"1471\" > Guerrero-Aviles, Raul<\/option><option value=\"336\" > Guerriero, G.<\/option><option value=\"1301\" > Guimaraes, Amanda R.<\/option><option value=\"1998\" > Gulania, Sahil<\/option><option value=\"1664\" > Gulbinas, Vidmantas<\/option><option value=\"1707\" > Gull, Emanuel<\/option><option value=\"1999\" > Gunina, Anastasia O.<\/option><option value=\"112\" > Guo, Y. 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J.<\/option><option value=\"858\" > Valero, S.<\/option><option value=\"1790\" > Valinas, David Garcia<\/option><option value=\"938\" > Vallan, L.<\/option><option value=\"1791\" > Vallecorsa, Sofia<\/option><option value=\"951\" > Valles-Pelarda, M.<\/option><option value=\"1859\" > Valverde, Danillo<\/option><option value=\"1590\" > Vandenbussche, Jelle<\/option><option value=\"1449\" > Vangheluwe, Raphael<\/option><option value=\"2371\" > Vanovschi, Vitalii<\/option><option value=\"1616\" > Vaquero-Sabater, Nonia<\/option><option value=\"693\" > Vara, Y.<\/option><option value=\"650\" > Varandas, A. J. C.<\/option><option value=\"135\" > Varela, S.<\/option><option value=\"1185\" > Vargas-Hern\u00e1ndez, Rodrigo A.<\/option><option value=\"2312\" > Varnavski, Oleg<\/option><option value=\"583\" > Varsano, D.<\/option><option value=\"1854\" > Vasenko, Andrey S.<\/option><option value=\"2088\" > Veccham, Srimukh Prasad<\/option><option value=\"2154\" > Veciana, Jaume<\/option><option value=\"649\" > Vega, J. M. G.<\/option><option value=\"1165\" >de la Vega, Jos\u00e9 M. Garc\u00eda<\/option><option value=\"1840\" > Vegliante, Alessio<\/option><option value=\"793\" > Vela, A.<\/option><option value=\"312\" > Velazquez-Carreras, D.<\/option><option value=\"1041\" > Velazquez-Carreras, Diana<\/option><option value=\"684\" > Veloso, A.<\/option><option value=\"2162\" > Venkatesh, K. P.<\/option><option value=\"1445\" > Venkatramani, Ravindra<\/option><option value=\"2004\" > Vera, Mario Hernandez<\/option><option value=\"948\" > Vera-Iturriaga, J.<\/option><option value=\"1286\" > Verdugo, Marta Costa<\/option><option value=\"814\" > Via-Nadal, M.<\/option><option value=\"1466\" > Via-Nadal, Mireia<\/option><option value=\"802\" > Victor, M.<\/option><option value=\"1274\" > Vidal, Fernando<\/option><option value=\"1961\" > Vidal, Marta L.<\/option><option value=\"361\" > Vietz, C.<\/option><option value=\"1834\" > Vilas-Varela, Manuel<\/option><option value=\"878\" > Vilches, S.<\/option><option value=\"1335\" > Vilchez, Juan J.<\/option><option value=\"1194\" > Vill, Katharina<\/option><option value=\"1259\" > Villaescusa, Leire<\/option><option value=\"1894\" > Villanueva, Angeles<\/option><option value=\"1384\" > Villar, Alberto<\/option><option value=\"1115\" > Vitorica-Yrezabal, I\u00f1igo J.<\/option><option value=\"1396\" > Vleeschouwer, Freija De<\/option><option value=\"2372\" > Vogt, Leslie<\/option><option value=\"686\" > Voituriez, A.<\/option><option value=\"856\" > Volker, S. F.<\/option><option value=\"1404\" > Vondran, Alexandria M.<\/option><option value=\"2138\" > Voorhis, Troy Van<\/option><option value=\"1176\" > Vozzolo, Giulia<\/option><option value=\"1599\" > Vyboishchikov, Sergei F.<\/option><option value=\"2089\" > Vydrov, Oleg<\/option><option value=\"32\" > Wagner, M.<\/option><option value=\"1560\" > Wahler, Johannes<\/option><option value=\"136\" > Waldeck, D. H.<\/option><option value=\"1571\" > Walleck, Stephan<\/option><option value=\"1204\" > Walter, Maggie C<\/option><option value=\"1618\" > Wang, Bipeng<\/option><option value=\"573\" > Wang, D. J.<\/option><option value=\"1845\" > Wang, Dongfei<\/option><option value=\"1866\" > Wang, Dongsheng<\/option><option value=\"91\" > Wang, J.<\/option><option value=\"2271\" > Wang, Jian<\/option><option value=\"998\" > Wang, Junting<\/option><option value=\"543\" > Wang, L. S.<\/option><option value=\"1550\" > Wang, Lai-Sheng<\/option><option value=\"2393\" > Wang, Peng<\/option><option value=\"140\" > Wang, Q. H.<\/option><option value=\"1838\" > Wang, Tao<\/option><option value=\"184\" > Wang, X. F.<\/option><option value=\"2270\" > Wang, Xinping<\/option><option value=\"957\" > Wang, Y.<\/option><option value=\"1474\" > Wang, Zi-Chuan<\/option><option value=\"2384\" > Warshel, Arieh<\/option><option value=\"137\" > Wasielewski, M. R.<\/option><option value=\"2373\" > Watson, Mark A.<\/option><option value=\"1502\" > Weinhold, Frank<\/option><option value=\"66\" > Weiske, T.<\/option><option value=\"138\" > Weiss, P. S.<\/option><option value=\"2090\" > Wenzel, Jan<\/option><option value=\"1983\" > Wergifosse, Marc<\/option><option value=\"2139\" > Wesolowski, Tomasz A.<\/option><option value=\"1792\" > Wever, Christopher<\/option><option value=\"2140\" > Whaley, K. Birgitta<\/option><option value=\"1943\" > White, Alec F.<\/option><option value=\"2374\" > White, Alec<\/option><option value=\"1530\" > Wiesendanger, Roland<\/option><option value=\"2375\" > Williams, Christopher F.<\/option><option value=\"1045\" > Wilmanns, Matthias<\/option><option value=\"2091\" > Witte, Jon<\/option><option value=\"1793\" > Wojciechowski, Konrad<\/option><option value=\"227\" > Wojtulewski, S.<\/option><option value=\"1628\" > Wolf, Michael O.<\/option><option value=\"1454\" > Woller, Tatiana<\/option><option value=\"606\" > Wong, B. M.<\/option><option value=\"2229\" > Wong, Bryan M.<\/option><option value=\"2199\" > Wood, James E. II<\/option><option value=\"2141\" > Woodcock, H. Lee III<\/option><option value=\"438\" > Worch, J. C.<\/option><option value=\"2320\" > Wormit, Michael<\/option><option value=\"961\" > Worsnop, S. K.<\/option><option value=\"2219\" > Wu, Jishan<\/option><option value=\"1794\" > Wu, Xiaodi<\/option><option value=\"9\" > Wu, Y. B.<\/option><option value=\"1617\" > Wu, Yifan<\/option><option value=\"644\" > Wysocka-Zolopa, M.<\/option><option value=\"1072\" > Ximenis, Marta<\/option><option value=\"2283\" > Xiong, Qihua<\/option><option value=\"1423\" > Xu, Jian<\/option><option value=\"1918\" > Xu, Jianhua<\/option><option value=\"1075\" > Xu, Xiang<\/option><option value=\"2385\" > Xu, Xin<\/option><option value=\"1620\" > Xu, Zhen<\/option><option value=\"962\" > Xue, T. J.<\/option><option value=\"1123\" > Xue, Tianjiao<\/option><option value=\"2092\" > Yamada, Atsushi<\/option><option value=\"2267\" > Yamada, Hiroko<\/option><option value=\"2376\" > Yang, Jun<\/option><option value=\"975\" > Yang, Y. Y.<\/option><option value=\"1919\" > Yang, Youjun<\/option><option value=\"2093\" > Yao, Kun<\/option><option value=\"1424\" > Yao, Shenglai<\/option><option value=\"2277\" > Ye, Huanqing<\/option><option value=\"2280\" > Ye, Xin<\/option><option value=\"2094\" > Yeganeh, Sina<\/option><option value=\"1795\" > Yoo, Shinjae<\/option><option value=\"62\" > York, D. M.<\/option><option value=\"987\" > York, D.<\/option><option value=\"1796\" > Yoshioka, Nobuyuki<\/option><option value=\"2095\" > Yost, Shane R.<\/option><option value=\"1540\" > You, Xue-Rui<\/option><option value=\"1962\" > You, Zhi-Qiang<\/option><option value=\"1797\" > Yu, Victor Wen-zhe<\/option><option value=\"1351\" > Yu, Yang<\/option><option value=\"2232\" > Yuan, Dafei<\/option><option value=\"2221\" > Yuan, Jennifer<\/option><option value=\"2217\" > Yuan, Liu<\/option><option value=\"972\" > Yuen, A.<\/option><option value=\"1798\" > Yunoki, Seiji<\/option><option value=\"487\" > Zabel, M.<\/option><option value=\"1904\" > Zaborova, Elena<\/option><option value=\"139\" > Zacharias, H.<\/option><option value=\"2209\" > Zafra, Jose L.<\/option><option value=\"2203\" > Zafra, Jose. L.<\/option><option value=\"860\" > Zakeeruddin, S. M.<\/option><option value=\"1149\" > Zale\u015bny, Robert<\/option><option value=\"729\" > Zandkarimi, B.<\/option><option value=\"1390\" > Zapata-Herrera, Mario<\/option><option value=\"823\" > Zarketa, I.<\/option><option value=\"976\" > Zarroug, R.<\/option><option value=\"1359\" > Zeballos, Nicoll<\/option><option value=\"2096\" > Zech, Alexander<\/option><option value=\"2218\" > Zeng, Wangdong<\/option><option value=\"482\" > Zhai, H. C.<\/option><option value=\"1543\" > Zhai, Hua-Jin<\/option><option value=\"2225\" > Zhang, Cheng<\/option><option value=\"2097\" > Zhang, Igor Ying<\/option><option value=\"960\" > Zhang, L.<\/option><option value=\"2282\" > Zhang, Qichun<\/option><option value=\"2098\" > Zhang, Xing<\/option><option value=\"2099\" > Zhang, Yu<\/option><option value=\"982\" > Zhang, Z. S.<\/option><option value=\"1137\" > Zhang, Zuxian<\/option><option value=\"984\" > Zhao, L. L.<\/option><option value=\"1136\" > Zhao, Lili<\/option><option value=\"2377\" > Zhao, Yan<\/option><option value=\"1868\" > Zheng, Yonghao<\/option><option value=\"966\" > Zheng, Z. P.<\/option><option value=\"1127\" > Zheng, Zhiping<\/option><option value=\"2238\" > Zhu, Daoben<\/option><option value=\"180\" > Zhu, J.<\/option><option value=\"965\" > Zhu, X. F.<\/option><option value=\"1126\" > Zhu, Xiaofei<\/option><option value=\"2227\" > Zhu, Xiaozhang<\/option><option value=\"1963\" > Zhu, Ying<\/option><option value=\"1799\" > Zhuk, Sergiy<\/option><option value=\"2425\" > Ziegler, Tom<\/option><option value=\"2142\" > Zimmerman, Paul M.<\/option><option value=\"1503\" > Zins, Emilie-Laure<\/option><option value=\"279\" > Zivic, N.<\/option><option value=\"555\" > Zlatkova, S. Z.<\/option><option value=\"2234\" > Zou, Ye<\/option><option value=\"1800\" > Zubarev, Dmitry<\/option><option value=\"255\" > Zubeltzu, J.<\/option><option value=\"1252\" > Zubeltzu, Jon<\/option><option value=\"697\" > Zubia, A.<\/option><option value=\"558\" > Zubiria, M.<\/option><option value=\"2231\" > Zubiria, Maria<\/option><option value=\"1887\" > Zubiria-Ulacia, Maria<\/option><option value=\"1081\" > Zubiria\u2010Ulacia, Maria<\/option><option value=\"953\" > Zuccatti, E.<\/option><option value=\"1030\" > Zudaire, Ane<\/option><option value=\"2100\" > Zuev, Dmitry<\/option><option value=\"459\" > Zulfiqar, S.<\/option><option value=\"1089\" > Zulfiqar, Sonia<\/option><option value=\"1233\" > Zulueta, Kepa<\/option><option value=\"73\" > Zuniga, J.<\/option><option value=\"989\" > Zurutuza, A.<\/option>\r\n                <\/select><div class=\"teachpress_search_button\"><input name=\"tps_button\" class=\"tp_search_button\" type=\"submit\" tabindex=\"10\" value=\"Search\"\/><\/div><\/div><\/form><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">1010 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 51 <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?limit=51&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><div class=\"teachpress_publication_list\"><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">1.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Gastearena, Xuban;  Ruip\u00e9rez, Fernando;  Barroso-Bujans, Fabienne;  Lam, Anabel;  Matxain, Jon M.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1310','tp_links')\" style=\"cursor:pointer;\">An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Polymer<\/em>, <strong>2026<\/strong>, 350(129792)<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_1310\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1310','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1310\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1310','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1310\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Gastearena2026,<br \/>\r\ntitle = {An insight into the monomeric isomerism in the polymerization of glycidol with B(C6F5)3: A DFT study of the initiation, propagation and cyclization steps},<br \/>\r\nauthor = {Xuban Gastearena and Fernando Ruip\u00e9rez and Fabienne Barroso-Bujans and Anabel Lam and Jon M. Matxain},<br \/>\r\ndoi = {10.1016\/j.polymer.2026.129792},<br \/>\r\nissn = {0032-3861},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-04-02},<br \/>\r\nurldate = {2026-04-02},<br \/>\r\njournal = {Polymer},<br \/>\r\nvolume = {350},<br \/>\r\nnumber = {129792},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {POL-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1310','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1310\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.polymer.2026.129792\" title=\"Follow DOI:10.1016\/j.polymer.2026.129792\" target=\"_blank\">doi:10.1016\/j.polymer.2026.129792<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1310','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">2.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Kanavos, Ioannis;  Nakahata, Douglas H.;  Barrett, Madeleine S.; dos Santos, Anc\u00e9ly F.;  Zubiria-Ulacia, Maria;  Pieslinger, German E.; da Silva Teixeira, Ana Beatriz;  Medeiros, Isadora;  Rocha, Clarissa Ribeiro Reily;  Eberle, Jonas;  Lobinski, Ryszard;  Matxain, Jon Mattin;  Hall, Matthew D.;  Angeli, Jos\u00e9 P. Friedmann;  Arn\u00e9r, Elias S. J.;  Ronga, Luisa; de Paiva, Raphael E. F.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1309','tp_links')\" style=\"cursor:pointer;\">What lies beyond thioredoxin reductase? Cyclometallated gold compounds reveal Sec selectivity in glutathione peroxidases<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Free Radical Biology and Medicine<\/em>, <strong>2026<\/strong>, 247, 139--156<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_1309\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1309','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1309\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1309','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1309\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Kanavos2026,<br \/>\r\ntitle = {What lies beyond thioredoxin reductase? Cyclometallated gold compounds reveal Sec selectivity in glutathione peroxidases},<br \/>\r\nauthor = {Ioannis Kanavos and Douglas H. Nakahata and Madeleine S. Barrett and Anc\u00e9ly F. dos Santos and Maria Zubiria-Ulacia and German E. Pieslinger and Ana Beatriz da Silva Teixeira and Isadora Medeiros and Clarissa Ribeiro Reily Rocha and Jonas Eberle and Ryszard Lobinski and Jon Mattin Matxain and Matthew D. Hall and Jos\u00e9 P. Friedmann Angeli and Elias S.J. Arn\u00e9r and Luisa Ronga and Raphael E.F. de Paiva},<br \/>\r\ndoi = {10.1016\/j.freeradbiomed.2026.02.007},<br \/>\r\nissn = {0891-5849},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-04-01},<br \/>\r\njournal = {Free Radical Biology and Medicine},<br \/>\r\nvolume = {247},<br \/>\r\npages = {139--156},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {POL-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1309','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1309\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.freeradbiomed.2026.02.007\" title=\"Follow DOI:10.1016\/j.freeradbiomed.2026.02.007\" target=\"_blank\">doi:10.1016\/j.freeradbiomed.2026.02.007<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1309','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">3.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rodriguez, Alba;  Formoso, Elena;  Knudsen, Birgitta R.;  Tesauro, Cinzia;  Fuertes, Maria;  Alonso, Concepcion<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1311','tp_links')\" style=\"cursor:pointer;\">Synthesis, Biological Evaluation, and Theoretical Study of Indenoquinolinylphosphine Oxide Derivatives as Topoisomerase 1 Inhibitors and Antiproliferative Agents<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>ChemMedChem<\/em>, <strong>2026<\/strong>, 21(5)<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_1311\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1311','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_1311\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1311','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1311\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1311','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=32\" title=\"Show all publications which have a relationship to this tag\">Bio-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1311\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Rodriguez2026,<br \/>\r\ntitle = {Synthesis, Biological Evaluation, and Theoretical Study of Indenoquinolinylphosphine Oxide Derivatives as Topoisomerase 1 Inhibitors and Antiproliferative Agents},<br \/>\r\nauthor = {Alba Rodriguez and Elena Formoso and Birgitta R. Knudsen and Cinzia Tesauro and Maria Fuertes and Concepcion Alonso},<br \/>\r\ndoi = {10.1002\/cmdc.202500751},<br \/>\r\nissn = {1860-7187},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-03-13},<br \/>\r\nurldate = {2026-03-13},<br \/>\r\njournal = {ChemMedChem},<br \/>\r\nvolume = {21},<br \/>\r\nnumber = {5},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {&lt;jats:p&gt;<br \/>\r\n                    The topoisomerase 1 (TOP1) enzymatic inhibition and antiproliferative activity of phosphorated indenoquinoline derivatives were investigated. First, the preparation of new hybrid quinoline and tetrahydroquinoline structures with a phosphine oxide group was performed by a two\u2010step Povarov type [4\u2009+\u20092]\u2010cycloaddition reaction between the corresponding phosphorated aldimines with indene in the presence of BF<br \/>\r\n                    &lt;jats:sub&gt;3&lt;\/jats:sub&gt;<br \/>\r\n                    \u00b7Et<br \/>\r\n                    &lt;jats:sub&gt;2&lt;\/jats:sub&gt;<br \/>\r\n                    O, affording corresponding 1,2,3,4\u2010tetrahydroindeno[2,1\u2010c]quinolinylphosphine oxides<br \/>\r\n                    &lt;jats:bold&gt;9&lt;\/jats:bold&gt;<br \/>\r\n                    , 7H\u2010indeno[2,1\u2010c]quinolinylphosphine oxides<br \/>\r\n                    &lt;jats:bold&gt;10&lt;\/jats:bold&gt;<br \/>\r\n                    and 7\u2010oxoindeno[2,1\u2010c]quinolinylphosphine oxides<br \/>\r\n                    &lt;jats:bold&gt;11&lt;\/jats:bold&gt;<br \/>\r\n                    with good yields. The synthesized derivatives were evaluated as TOP1 inhibitors, showing that some derivatives (<br \/>\r\n                    &lt;jats:bold&gt;9f&lt;\/jats:bold&gt;<br \/>\r\n                    ,<br \/>\r\n                    &lt;jats:bold&gt;9g&lt;\/jats:bold&gt;<br \/>\r\n                    ,<br \/>\r\n                    &lt;jats:bold&gt;9l&lt;\/jats:bold&gt;<br \/>\r\n                    , and<br \/>\r\n                    &lt;jats:bold&gt;11m&lt;\/jats:bold&gt;<br \/>\r\n                    ) show better or similar activity to the reference compound (CPT) at 1\u2009min. The synthesized derivatives were screened for their antiproliferative activity in different cancerous cell lines, and all of them present a higher selective cytotoxicity in the human lung adenocarcinoma cell line (A549), than in the others. In contrast, almost none of the synthesized phosphorated compounds exhibited antiproliferative activity toward nonmalignant lung fibroblasts MCR5. These results suggest that phosphine oxide\u2010substituted quinoline derivatives have important properties as TOP1 inhibitors and show an interesting cytotoxicity against six different cancerous cell lines.<br \/>\r\n                  &lt;\/jats:p&gt;},<br \/>\r\nkeywords = {Bio-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1311','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_1311\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:p&gt;<br \/>\r\n                    The topoisomerase 1 (TOP1) enzymatic inhibition and antiproliferative activity of phosphorated indenoquinoline derivatives were investigated. First, the preparation of new hybrid quinoline and tetrahydroquinoline structures with a phosphine oxide group was performed by a two\u2010step Povarov type [4\u2009+\u20092]\u2010cycloaddition reaction between the corresponding phosphorated aldimines with indene in the presence of BF<br \/>\r\n                    &lt;jats:sub&gt;3&lt;\/jats:sub&gt;<br \/>\r\n                    \u00b7Et<br \/>\r\n                    &lt;jats:sub&gt;2&lt;\/jats:sub&gt;<br \/>\r\n                    O, affording corresponding 1,2,3,4\u2010tetrahydroindeno[2,1\u2010c]quinolinylphosphine oxides<br \/>\r\n                    &lt;jats:bold&gt;9&lt;\/jats:bold&gt;<br \/>\r\n                    , 7H\u2010indeno[2,1\u2010c]quinolinylphosphine oxides<br \/>\r\n                    &lt;jats:bold&gt;10&lt;\/jats:bold&gt;<br \/>\r\n                    and 7\u2010oxoindeno[2,1\u2010c]quinolinylphosphine oxides<br \/>\r\n                    &lt;jats:bold&gt;11&lt;\/jats:bold&gt;<br \/>\r\n                    with good yields. The synthesized derivatives were evaluated as TOP1 inhibitors, showing that some derivatives (<br \/>\r\n                    &lt;jats:bold&gt;9f&lt;\/jats:bold&gt;<br \/>\r\n                    ,<br \/>\r\n                    &lt;jats:bold&gt;9g&lt;\/jats:bold&gt;<br \/>\r\n                    ,<br \/>\r\n                    &lt;jats:bold&gt;9l&lt;\/jats:bold&gt;<br \/>\r\n                    , and<br \/>\r\n                    &lt;jats:bold&gt;11m&lt;\/jats:bold&gt;<br \/>\r\n                    ) show better or similar activity to the reference compound (CPT) at 1\u2009min. The synthesized derivatives were screened for their antiproliferative activity in different cancerous cell lines, and all of them present a higher selective cytotoxicity in the human lung adenocarcinoma cell line (A549), than in the others. In contrast, almost none of the synthesized phosphorated compounds exhibited antiproliferative activity toward nonmalignant lung fibroblasts MCR5. These results suggest that phosphine oxide\u2010substituted quinoline derivatives have important properties as TOP1 inhibitors and show an interesting cytotoxicity against six different cancerous cell lines.<br \/>\r\n                  &lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1311','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1311\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/cmdc.202500751\" title=\"Follow DOI:10.1002\/cmdc.202500751\" target=\"_blank\">doi:10.1002\/cmdc.202500751<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1311','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">4.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Toldo, Josene M.;  Staab, Jakob K.;  Matito, Eduard;  Foroutan-Nejad, Cina;  Ottosson, Henrik<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('950','tp_links')\" style=\"cursor:pointer;\">Deciphering the molecular origin of the 19.3 eV electronic excitation energy of H                    <sub>3<\/sub>                    <sup>+<\/sup><\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Chem. Sci.<\/em>, <strong>2026<\/strong>, 17(10), 5029--5037<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_950\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('950','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_950\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('950','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=38\" title=\"Show all publications which have a relationship to this tag\">QCD-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_950\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Toldo2026,<br \/>\r\ntitle = {Deciphering the molecular origin of the 19.3 eV electronic excitation energy of H                    _{3}                    ^{+}},<br \/>\r\nauthor = {Josene M. Toldo and Jakob K. Staab and Eduard Matito and Cina Foroutan-Nejad and Henrik Ottosson},<br \/>\r\ndoi = {10.1039\/d5sc09067a},<br \/>\r\nissn = {2041-6539},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-03-11},<br \/>\r\nurldate = {2026-03-11},<br \/>\r\njournal = {Chem. Sci.},<br \/>\r\nvolume = {17},<br \/>\r\nnumber = {10},<br \/>\r\npages = {5029--5037},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nkeywords = {IT2067, QCD-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('950','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_950\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5sc09067a\" title=\"Follow DOI:10.1039\/d5sc09067a\" target=\"_blank\">doi:10.1039\/d5sc09067a<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('950','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">5.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Owona, Josianne;  Goto, Selom J.;  Truflandier, Lionel;  Tonnel\u00e9, Claire;  Castet, Fr\u00e9d\u00e9ric<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('948','tp_links')\" style=\"cursor:pointer;\">Pressure- and aggregation-induced modulation of linear and nonlinear optical properties in a push\u2013pull chromophore: insights from computational modelling<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Phys. Chem. Chem. Phys.<\/em>, <strong>2026<\/strong>, 28(10), 6636--6648<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_948\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('948','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_948\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('948','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_948\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('948','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_948\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Owona2026,<br \/>\r\ntitle = {Pressure- and aggregation-induced modulation of linear and nonlinear optical properties in a push\u2013pull chromophore: insights from computational modelling},<br \/>\r\nauthor = {Josianne Owona and Selom J. Goto and Lionel Truflandier and Claire Tonnel\u00e9 and Fr\u00e9d\u00e9ric Castet},<br \/>\r\ndoi = {10.1039\/d5cp04030b},<br \/>\r\nissn = {1463-9084},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-03-11},<br \/>\r\nurldate = {2026-03-11},<br \/>\r\njournal = {Phys. Chem. Chem. Phys.},<br \/>\r\nvolume = {28},<br \/>\r\nnumber = {10},<br \/>\r\npages = {6636--6648},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {&lt;jats:p&gt;We report a theoretical investigation of the structural and optical responses of a molecular crystal based on a push\u2013pull chromophore subjected to increasing isotropic pressure ranging from 1 to 30 kbar.&lt;\/jats:p&gt;},<br \/>\r\nkeywords = {IT2067, MolEles-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('948','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_948\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:p&gt;We report a theoretical investigation of the structural and optical responses of a molecular crystal based on a push\u2013pull chromophore subjected to increasing isotropic pressure ranging from 1 to 30 kbar.&lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('948','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_948\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5cp04030b\" title=\"Follow DOI:10.1039\/d5cp04030b\" target=\"_blank\">doi:10.1039\/d5cp04030b<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('948','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">6.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Nyvel, Louis Van;  Casademont-Reig, Irene;  Eeckhoudt, Jochen;  Quintero, Sergio Moles;  Proft, Frank De;  Geerlings, Paul;  Alonso, Mercedes<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('946','tp_links')\" style=\"cursor:pointer;\">Interplay between diradical character, aromaticity and conductance in oligothiophenes<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Chem. Sci.<\/em>, <strong>2026<\/strong>, 17(10), 5125--5144<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_946\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('946','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_946\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('946','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=38\" title=\"Show all publications which have a relationship to this tag\">QCD-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_946\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{VanNyvel2026,<br \/>\r\ntitle = {Interplay between diradical character, aromaticity and conductance in oligothiophenes},<br \/>\r\nauthor = {Louis Van Nyvel and Irene Casademont-Reig and Jochen Eeckhoudt and Sergio Moles Quintero and Frank De Proft and Paul Geerlings and Mercedes Alonso},<br \/>\r\ndoi = {10.1039\/d5sc05918f},<br \/>\r\nissn = {2041-6539},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-03-11},<br \/>\r\nurldate = {2026-03-11},<br \/>\r\njournal = {Chem. Sci.},<br \/>\r\nvolume = {17},<br \/>\r\nnumber = {10},<br \/>\r\npages = {5125--5144},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nkeywords = {QCD-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('946','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_946\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5sc05918f\" title=\"Follow DOI:10.1039\/d5sc05918f\" target=\"_blank\">doi:10.1039\/d5sc05918f<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('946','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">7.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Mitxelena, Ion;  Lew-Yee, Juan Felipe Huan;  Piris, Mario<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('944','tp_links')\" style=\"cursor:pointer;\">5- and 6-Membered Rings: A Natural Orbital Functional Study<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Journal of Chemical Theory and Computation<\/em>, <strong>2026<\/strong>, 22, 2799-2807<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_944\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('944','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_944\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('944','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_944\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('944','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=34\" title=\"Show all publications which have a relationship to this tag\">NOFT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_944\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{nokey,<br \/>\r\ntitle = {5- and 6-Membered Rings: A Natural Orbital Functional Study},<br \/>\r\nauthor = {Ion Mitxelena and Juan Felipe Huan Lew-Yee and Mario Piris},<br \/>\r\ndoi = {https:\/\/doi.org\/10.1021\/acs.jctc.5c01861},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-03-05},<br \/>\r\nurldate = {2026-03-05},<br \/>\r\njournal = {Journal of Chemical Theory and Computation},<br \/>\r\nvolume = {22},<br \/>\r\nissue = {6},<br \/>\r\npages = {2799-2807},<br \/>\r\nabstract = {The Global Natural Orbital Functional (GNOF) provides a straightforward approach to capture most electron correlation effects without needing perturbative corrections or limited active spaces selection. In this work, we evaluate both the original GNOF and its modified variant, GNOFm, on a set of twelve 5- and 6-membered molecular rings, systems characterized primarily by dynamic correlation. This reference set is vital as it comprises essential substructures of more complex molecules. We report complete-basis-set limit correlation energies for GNOF, GNOFm, and the benchmark CCSD(T) method. Across the Dunning basis sets, both functionals deliver a balanced and accurate description of the molecular set, with GNOFm showing small but systematic improvements while preserving the overall robustness of the original formulation. These results confirm the reliability of the GNOF family and its ability to capture dynamic correlation effects.},<br \/>\r\nkeywords = {NOFT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('944','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_944\" style=\"display:none;\"><div class=\"tp_abstract_entry\">The Global Natural Orbital Functional (GNOF) provides a straightforward approach to capture most electron correlation effects without needing perturbative corrections or limited active spaces selection. In this work, we evaluate both the original GNOF and its modified variant, GNOFm, on a set of twelve 5- and 6-membered molecular rings, systems characterized primarily by dynamic correlation. This reference set is vital as it comprises essential substructures of more complex molecules. We report complete-basis-set limit correlation energies for GNOF, GNOFm, and the benchmark CCSD(T) method. Across the Dunning basis sets, both functionals deliver a balanced and accurate description of the molecular set, with GNOFm showing small but systematic improvements while preserving the overall robustness of the original formulation. These results confirm the reliability of the GNOF family and its ability to capture dynamic correlation effects.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('944','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_944\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/https:\/\/doi.org\/10.1021\/acs.jctc.5c01861\" title=\"Follow DOI:https:\/\/doi.org\/10.1021\/acs.jctc.5c01861\" target=\"_blank\">doi:https:\/\/doi.org\/10.1021\/acs.jctc.5c01861<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('944','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">8.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Luna, Emelin;  Olazabal, Ion; de Somer, Tobias;  Nachtergaele, Pieter;  Lopez, Xabier;  Ximenis, Marta; de Meester, Steven;  Sardon, Haritz<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('936','tp_links')\" style=\"cursor:pointer;\">Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Resources, Conservation and Recycling<\/em>, <strong>2026<\/strong>, 226<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_936\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('936','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_936\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('936','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=32\" title=\"Show all publications which have a relationship to this tag\">Bio-KT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_936\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Luna2026b,<br \/>\r\ntitle = {Solvent switch strategy to facilitate the downstream process of chemical recycling of plastics},<br \/>\r\nauthor = {Emelin Luna and Ion Olazabal and Tobias de Somer and Pieter Nachtergaele and Xabier Lopez and Marta Ximenis and Steven de Meester and Haritz Sardon},<br \/>\r\ndoi = {10.1016\/j.resconrec.2025.108686},<br \/>\r\nissn = {0921-3449},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-23},<br \/>\r\njournal = {Resources, Conservation and Recycling},<br \/>\r\nvolume = {226},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {Bio-KT, IT2067},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('936','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_936\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.resconrec.2025.108686\" title=\"Follow DOI:10.1016\/j.resconrec.2025.108686\" target=\"_blank\">doi:10.1016\/j.resconrec.2025.108686<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('936','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">9.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Jim\u00e9nez-Garc\u00eda, Juan Carlos;  Zeballos, Nicoll;  L\u00f3pez-Gallego, Fernando;  L\u00f3pez, Xabier;  Sancho, David De<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('933','tp_links')\" style=\"cursor:pointer;\">Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>J. Phys. Chem. Lett.<\/em>, <strong>2026<\/strong>, 17(7), 2094--2102<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_933\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('933','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_933\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('933','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_933\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Jim\u00e9nez-Garc\u00eda2026,<br \/>\r\ntitle = {Mechanistic Determinants of Oriented Enzyme Immobilization from Martini Simulations},<br \/>\r\nauthor = {Juan Carlos Jim\u00e9nez-Garc\u00eda and Nicoll Zeballos and Fernando L\u00f3pez-Gallego and Xabier L\u00f3pez and David De Sancho},<br \/>\r\ndoi = {10.1021\/acs.jpclett.5c03753},<br \/>\r\nissn = {1948-7185},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-19},<br \/>\r\nurldate = {2026-02-19},<br \/>\r\njournal = {J. Phys. Chem. Lett.},<br \/>\r\nvolume = {17},<br \/>\r\nnumber = {7},<br \/>\r\npages = {2094--2102},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {IT2067},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('933','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_933\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpclett.5c03753\" title=\"Follow DOI:10.1021\/acs.jpclett.5c03753\" target=\"_blank\">doi:10.1021\/acs.jpclett.5c03753<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('933','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">10.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Lew-Yee, Juan Felipe Huan;  Mitxelena, Ion; del Campo, Jorge M.;  Piris, Mario<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('937','tp_links')\" style=\"cursor:pointer;\">DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>The Journal of Chemical Physics<\/em>, <strong>2026<\/strong>, 164, 072501<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_937\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('937','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_937\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('937','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_937\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('937','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=34\" title=\"Show all publications which have a relationship to this tag\">NOFT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_937\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Lew-Yee2026,<br \/>\r\ntitle = {DoNOF 2.0: A modern open-source electronic structure program for natural orbital functionals},<br \/>\r\nauthor = {Juan Felipe Huan Lew-Yee and Ion Mitxelena and Jorge M. del Campo and Mario Piris},<br \/>\r\ndoi = {10.1063\/5.0316927},<br \/>\r\nissn = {1089-7690},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-18},<br \/>\r\nurldate = {2026-02-18},<br \/>\r\njournal = {The Journal of Chemical Physics},<br \/>\r\nvolume = {164},<br \/>\r\nissue = {7},<br \/>\r\npages = {072501},<br \/>\r\npublisher = {AIP Publishing},<br \/>\r\nabstract = {In this work, we present the second version of the Donostia natural orbital functional software, an open-source program for natural orbital functional calculations. The new release incorporates improved optimization algorithms, capabilities for excited-state computations, support for ab initio molecular dynamics, and integration with the libcint library. DoNOF 2.0 also extends its property toolbox by enabling the evaluation of nonlinear optical responses, including static polarizabilities and higher-order hyperpolarizabilities via a finite-field Romberg\u2013Richardson scheme.},<br \/>\r\nkeywords = {NOFT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('937','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_937\" style=\"display:none;\"><div class=\"tp_abstract_entry\">In this work, we present the second version of the Donostia natural orbital functional software, an open-source program for natural orbital functional calculations. The new release incorporates improved optimization algorithms, capabilities for excited-state computations, support for ab initio molecular dynamics, and integration with the libcint library. DoNOF 2.0 also extends its property toolbox by enabling the evaluation of nonlinear optical responses, including static polarizabilities and higher-order hyperpolarizabilities via a finite-field Romberg\u2013Richardson scheme.<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('937','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_937\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1063\/5.0316927\" title=\"Follow DOI:10.1063\/5.0316927\" target=\"_blank\">doi:10.1063\/5.0316927<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('937','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">11.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Calvo, Unai;  Matxain, Jon M.;  Egurrola, Jose Javier;  Burgoa, Aizeti;  Ruip\u00e9rez, Fernando<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('942','tp_links')\" style=\"cursor:pointer;\">Polymer-metal oxide interfaces in XHNBR\/PA6 blends: computational insights toward sustainable crosslinking<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>RSC Adv.<\/em>, <strong>2026<\/strong>, 16(10), 9167--9179<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_942\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('942','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=39\" title=\"Show all publications which have a relationship to this tag\">POL-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_942\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Calvo2026,<br \/>\r\ntitle = {Polymer-metal oxide interfaces in XHNBR\/PA6 blends: computational insights toward sustainable crosslinking},<br \/>\r\nauthor = {Unai Calvo and Jon M. Matxain and Jose Javier Egurrola and Aizeti Burgoa and Fernando Ruip\u00e9rez},<br \/>\r\ndoi = {10.1039\/d5ra09279e},<br \/>\r\nissn = {2046-2069},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-11},<br \/>\r\njournal = {RSC Adv.},<br \/>\r\nvolume = {16},<br \/>\r\nnumber = {10},<br \/>\r\npages = {9167--9179},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {<jats:p>Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.<\/jats:p>},<br \/>\r\nkeywords = {IT2067, POL-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_942\" style=\"display:none;\"><div class=\"tp_abstract_entry\"><jats:p>Polyamide 6 (PA6) is a high-performance thermoplastic widely used in engineering applications, while carboxylated hydrogenated nitrile rubber (XHNBR) provides viscoelastic damping and reactive carboxyl groups for crosslinking with metal oxides.<\/jats:p><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_942\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5ra09279e\" title=\"Follow DOI:10.1039\/d5ra09279e\" target=\"_blank\">doi:10.1039\/d5ra09279e<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('942','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">12.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Rodriguez-Jimenez, Jose Aaron;  Calupitan, Jan Patrick;  Casanova, David<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('1131','tp_links')\" style=\"cursor:pointer;\">Electronic structure origins of radical character in triangular fused \r\n acenes: sextet stabilization vs. antiaromaticity release<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>ORGANIC CHEMISTRY FRONTIERS<\/em>, <strong>2026<\/strong>, 13(3), 794-802<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_1131\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1131','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_1131\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('1131','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_1131\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{WOS:001629880400001,<br \/>\r\ntitle = {Electronic structure origins of radical character in triangular fused <br \/>\r\n acenes: sextet stabilization vs. antiaromaticity release},<br \/>\r\nauthor = {Jose Aaron Rodriguez-Jimenez and Jan Patrick Calupitan and David Casanova},<br \/>\r\ndoi = {10.1039\/d5qo01343g},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-02-01},<br \/>\r\njournal = {ORGANIC CHEMISTRY FRONTIERS},<br \/>\r\nvolume = {13},<br \/>\r\nnumber = {3},<br \/>\r\npages = {794-802},<br \/>\r\nkeywords = {MolEles-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1131','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_1131\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5qo01343g\" title=\"Follow DOI:10.1039\/d5qo01343g\" target=\"_blank\">doi:10.1039\/d5qo01343g<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('1131','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">13.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Carreras, Abel;  Or\u00fas, Rom\u00e1n;  Casanova, David<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('939','tp_links')\" style=\"cursor:pointer;\">Limitations of quantum hardware for molecular energy estimation using VQE<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Phys. Chem. Chem. Phys.<\/em>, <strong>2026<\/strong>, 28(4), 2834--2846<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_939\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('939','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_939\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('939','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_939\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('939','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_939\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Carreras2026,<br \/>\r\ntitle = {Limitations of quantum hardware for molecular energy estimation using VQE},<br \/>\r\nauthor = {Abel Carreras and Rom\u00e1n Or\u00fas and David Casanova},<br \/>\r\ndoi = {10.1039\/d5cp03907j},<br \/>\r\nissn = {1463-9084},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-28},<br \/>\r\nurldate = {2026-01-28},<br \/>\r\njournal = {Phys. Chem. Chem. Phys.},<br \/>\r\nvolume = {28},<br \/>\r\nnumber = {4},<br \/>\r\npages = {2834--2846},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nabstract = {&lt;jats:p&gt;In this study, we investigate the performance of VQE algorithms implemented on current quantum hardware for determining molecular ground-state energies, focusing on the adaptive derivative-assembled pseudo-Trotter ansatz VQE (ADAPT-VQE).&lt;\/jats:p&gt;},<br \/>\r\nkeywords = {IT2067, MolEles-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('939','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_939\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:p&gt;In this study, we investigate the performance of VQE algorithms implemented on current quantum hardware for determining molecular ground-state energies, focusing on the adaptive derivative-assembled pseudo-Trotter ansatz VQE (ADAPT-VQE).&lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('939','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_939\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d5cp03907j\" title=\"Follow DOI:10.1039\/d5cp03907j\" target=\"_blank\">doi:10.1039\/d5cp03907j<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('939','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">14.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Omist, Alicia;  Casanova, David<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('940','tp_links')\" style=\"cursor:pointer;\">Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>J. Chem. Theory Comput.<\/em>, <strong>2026<\/strong>, 22(2), 963--971<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_940\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('940','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_940\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('940','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_940\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Omist2026,<br \/>\r\ntitle = {Spin-Permutation Diabatization: A General Framework for Spin Localization and Exchange Coupling},<br \/>\r\nauthor = {Alicia Omist and David Casanova},<br \/>\r\ndoi = {10.1021\/acs.jctc.5c01904},<br \/>\r\nissn = {1549-9626},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-27},<br \/>\r\nurldate = {2026-01-27},<br \/>\r\njournal = {J. Chem. Theory Comput.},<br \/>\r\nvolume = {22},<br \/>\r\nnumber = {2},<br \/>\r\npages = {963--971},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {IT2067, MolEles-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('940','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_940\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jctc.5c01904\" title=\"Follow DOI:10.1021\/acs.jctc.5c01904\" target=\"_blank\">doi:10.1021\/acs.jctc.5c01904<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('940','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">15.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Merino, Santos;  Villar, Alberto;  D\u00edez-Ahedo, Ruth;  G\u00e1rate, Eider;  Amenabar, Iban;  Gay, Ralph;  Espina, Jorge;  Zapata-Herrera, Mario;  Boto, Roberto A.;  Aizpurua, Javier<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('943','tp_links')\" style=\"cursor:pointer;\">Acrylamide molecule detection by surface-enhanced infrared absorption spectroscopy using resonant nanoantennas<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy<\/em>, <strong>2026<\/strong>, 345<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_943\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('943','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_943\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('943','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_943\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Merino2026,<br \/>\r\ntitle = {Acrylamide molecule detection by surface-enhanced infrared absorption spectroscopy using resonant nanoantennas},<br \/>\r\nauthor = {Santos Merino and Alberto Villar and Ruth D\u00edez-Ahedo and Eider G\u00e1rate and Iban Amenabar and Ralph Gay and Jorge Espina and Mario Zapata-Herrera and Roberto A. Boto and Javier Aizpurua},<br \/>\r\ndoi = {10.1016\/j.saa.2025.126772},<br \/>\r\nissn = {1386-1425},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-15},<br \/>\r\njournal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},<br \/>\r\nvolume = {345},<br \/>\r\npublisher = {Elsevier BV},<br \/>\r\nkeywords = {IT2067},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('943','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_943\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1016\/j.saa.2025.126772\" title=\"Follow DOI:10.1016\/j.saa.2025.126772\" target=\"_blank\">doi:10.1016\/j.saa.2025.126772<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('943','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">16.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Guimar\u00e3es, Amanda R.;  Ballesteros, \u00d3scar R.;  Rivilla, Iv\u00e1n;  Olaizola, Irene;  Odriozola-Gimeno, Mikel; de C\u00f3zar, Abel; de Sancho, David;  Lopez, Xabier;  Banales, Jesus M.;  Coss\u00edo, Fernando P.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('935','tp_links')\" style=\"cursor:pointer;\">Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>J. Chem. Inf. Model.<\/em>, <strong>2026<\/strong>, 66(1), 668--683<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_935\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('935','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_935\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('935','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_935\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Guimar\u00e3es2025,<br \/>\r\ntitle = {Computational Analysis of a Next-Generation Platinum-Based Chemotherapies that Induce DNA Double-Strand Breaks},<br \/>\r\nauthor = {Amanda R. Guimar\u00e3es and \u00d3scar R. Ballesteros and Iv\u00e1n Rivilla and Irene Olaizola and Mikel Odriozola-Gimeno and Abel de C\u00f3zar and David de Sancho and Xabier Lopez and Jesus M. Banales and Fernando P. Coss\u00edo},<br \/>\r\ndoi = {10.1021\/acs.jcim.5c01654},<br \/>\r\nissn = {1549-960X},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-12},<br \/>\r\nurldate = {2026-01-12},<br \/>\r\njournal = {J. Chem. Inf. Model.},<br \/>\r\nvolume = {66},<br \/>\r\nnumber = {1},<br \/>\r\npages = {668--683},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {IT2067},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('935','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_935\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jcim.5c01654\" title=\"Follow DOI:10.1021\/acs.jcim.5c01654\" target=\"_blank\">doi:10.1021\/acs.jcim.5c01654<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('935','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">17.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Hannan, Robert J.;  Vondran, Alexandria M.;  Cho, Sunghwan;  Hanson, Kerry M.;  Tonnel\u00e9, Claire;  Casanova, David;  Bardeen, Christopher J.;  Bahamonde, Ana<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('947','tp_links')\" style=\"cursor:pointer;\">Photochemical reduction of aryl chlorides, bromides, and iodides                    <i>via<\/i>                    ternary EDA complexes with guanidine bases<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Chem. Sci.<\/em>, <strong>2026<\/strong><\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_947\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('947','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_947\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('947','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_947\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Hannan2026,<br \/>\r\ntitle = {Photochemical reduction of aryl chlorides, bromides, and iodides                    \\textit{via}                    ternary EDA complexes with guanidine bases},<br \/>\r\nauthor = {Robert J. Hannan and Alexandria M. Vondran and Sunghwan Cho and Kerry M. Hanson and Claire Tonnel\u00e9 and David Casanova and Christopher J. Bardeen and Ana Bahamonde},<br \/>\r\ndoi = {10.1039\/d6sc00251j},<br \/>\r\nissn = {2041-6539},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-06},<br \/>\r\nurldate = {2026-01-06},<br \/>\r\njournal = {Chem. Sci.},<br \/>\r\npublisher = {Royal Society of Chemistry (RSC)},<br \/>\r\nkeywords = {MolEles-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('947','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_947\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1039\/d6sc00251j\" title=\"Follow DOI:10.1039\/d6sc00251j\" target=\"_blank\">doi:10.1039\/d6sc00251j<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('947','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">18.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Manjanath, Aaditya;  Casanova, David;  Sahara, Ryoji;  Hsu, Chao\u2010Ping<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('941','tp_links')\" style=\"cursor:pointer;\">Localized Molecular Orbitals for Single Excitation Theories<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>J Comput Chem<\/em>, <strong>2026<\/strong>, 47(1)<\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_941\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('941','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_941\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('941','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_941\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('941','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=37\" title=\"Show all publications which have a relationship to this tag\">IT2067<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=35\" title=\"Show all publications which have a relationship to this tag\">MolEles-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_941\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Manjanath2025,<br \/>\r\ntitle = {Localized Molecular Orbitals for Single Excitation Theories},<br \/>\r\nauthor = {Aaditya Manjanath and David Casanova and Ryoji Sahara and Chao\u2010Ping Hsu},<br \/>\r\ndoi = {10.1002\/jcc.70293},<br \/>\r\nissn = {1096-987X},<br \/>\r\nyear  = {2026},<br \/>\r\ndate = {2026-01-05},<br \/>\r\nurldate = {2026-01-05},<br \/>\r\njournal = {J Comput Chem},<br \/>\r\nvolume = {47},<br \/>\r\nnumber = {1},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {&lt;jats:title&gt;ABSTRACT&lt;\/jats:title&gt;<br \/>\r\n                  &lt;jats:p&gt;Excited states of systems composed of linked fragments or stacked molecules are important for understanding their optoelectronic properties. These states, when projected to individual fragments, are either local (LEs) or charge transfer excitons (CTEs). However, the canonical molecular orbitals (CMOs) obtained from a typical calculation tend to delocalize, which makes the subsequent analysis of excited states cumbersome. In this work, we report a simple approach to address this problem by employing localized molecular orbitals (LMOs) as linear combinations of the CMOs in the occupied and virtual subspaces separately after a self\u2010consistent field calculation. This separated linear combination ensures that configuration interaction singles (CIS), random phase approximation (RPA), and their corresponding density functional theory (DFT) counterparts [Tamm\u2010Dancoff approximation time\u2010dependent DFT (TDA\u2010TDDFT) and TDDFT] calculations with LMOs are mathematically equivalent to those performed with CMOs. We performed tests on simple symmetric and asymmetric dimer systems and found that the excited states are numerically identical in excitation energies and transition moments for both LMOs and CMOs, except for very few states that are only found in either LMO or CMO (in symmetric cases). The LMO basis makes both qualitative and quantitative analyses of the excited states much more accessible, as the extent of LE and CTE contributions can be easily defined. Consequently, this simple yet robust approach can be useful for characterizing excitons in multichromophoric systems and in condensed phases, which is useful when studying problems pertaining to electron\/excitation energy transfer processes.&lt;\/jats:p&gt;},<br \/>\r\nkeywords = {IT2067, MolEles-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('941','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_941\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:title&gt;ABSTRACT&lt;\/jats:title&gt;<br \/>\r\n                  &lt;jats:p&gt;Excited states of systems composed of linked fragments or stacked molecules are important for understanding their optoelectronic properties. These states, when projected to individual fragments, are either local (LEs) or charge transfer excitons (CTEs). However, the canonical molecular orbitals (CMOs) obtained from a typical calculation tend to delocalize, which makes the subsequent analysis of excited states cumbersome. In this work, we report a simple approach to address this problem by employing localized molecular orbitals (LMOs) as linear combinations of the CMOs in the occupied and virtual subspaces separately after a self\u2010consistent field calculation. This separated linear combination ensures that configuration interaction singles (CIS), random phase approximation (RPA), and their corresponding density functional theory (DFT) counterparts [Tamm\u2010Dancoff approximation time\u2010dependent DFT (TDA\u2010TDDFT) and TDDFT] calculations with LMOs are mathematically equivalent to those performed with CMOs. We performed tests on simple symmetric and asymmetric dimer systems and found that the excited states are numerically identical in excitation energies and transition moments for both LMOs and CMOs, except for very few states that are only found in either LMO or CMO (in symmetric cases). The LMO basis makes both qualitative and quantitative analyses of the excited states much more accessible, as the extent of LE and CTE contributions can be easily defined. Consequently, this simple yet robust approach can be useful for characterizing excitons in multichromophoric systems and in condensed phases, which is useful when studying problems pertaining to electron\/excitation energy transfer processes.&lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('941','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_941\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/jcc.70293\" title=\"Follow DOI:10.1002\/jcc.70293\" target=\"_blank\">doi:10.1002\/jcc.70293<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('941','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">19.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Cartagena, Manuel Eduardo Martinez;  Suarez, Lucia;  Ontoria, Aitor;  Benitez, Francisca J.;  Rezabal, Elixabete;  Orellano, Mar\u00eda Soledad;  Calder\u00f3n, Marcelo;  Huck\u2010Iriart, Cristi\u00e1n;  Picco, Agustin S.;  Picchio, Matias L.;  Beloqui, Ana<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('934','tp_links')\" style=\"cursor:pointer;\">Eutectozymes as Soft Hybrid Materials for Advanced Biocatalysis<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>Advanced Materials<\/em>, <strong>2025<\/strong><\/p><p class=\"tp_pub_menu\"><span class=\"tp_abstract_link\"><a id=\"tp_abstract_sh_934\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('934','tp_abstract')\" title=\"Show abstract\" style=\"cursor:pointer;\">Abstract<\/a><\/span> | <span class=\"tp_resource_link\"><a id=\"tp_links_sh_934\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('934','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_934\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('934','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=27\" title=\"Show all publications which have a relationship to this tag\">SUS-KT<\/a>, <a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=33\" title=\"Show all publications which have a relationship to this tag\">Sus-KT<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_934\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{MartinezCartagena2025,<br \/>\r\ntitle = {Eutectozymes as Soft Hybrid Materials for Advanced Biocatalysis},<br \/>\r\nauthor = {Manuel Eduardo Martinez Cartagena and Lucia Suarez and Aitor Ontoria and Francisca J. Benitez and Elixabete Rezabal and Mar\u00eda Soledad Orellano and Marcelo Calder\u00f3n and Cristi\u00e1n Huck\u2010Iriart and Agustin S. Picco and Matias L. Picchio and Ana Beloqui},<br \/>\r\ndoi = {10.1002\/adma.202517014},<br \/>\r\nissn = {1521-4095},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-12-24},<br \/>\r\nurldate = {2025-12-24},<br \/>\r\njournal = {Advanced Materials},<br \/>\r\npublisher = {Wiley},<br \/>\r\nabstract = {&lt;jats:title&gt;ABSTRACT&lt;\/jats:title&gt;<br \/>\r\n                  &lt;jats:p&gt;The development of soft hybrid materials that combine structural integrity, biocompatibility, and catalytic function is a central challenge in advanced biocatalysis. Here, we introduce eutectozymes, enzyme\u2010loaded eutectogels built from natural hydrophobic deep eutectic solvents (HES) and stabilized through a dual supramolecular polymeric network. This unique architecture not only preserves the conformational integrity of enzymes but also creates confined microcavities acting as protective microreactors, thereby enhancing their stability and substrate affinity. Eutectozymes exhibit remarkable resilience under harsh operational conditions, including high temperatures, extreme pH, and organic solvents, while maintaining high catalytic efficiency and reusability. Their versatility is further demonstrated in environmental remediation, achieving over 90% degradation of recalcitrant dyes, and in antimicrobial applications against resistant bacterial strains. By synergistically merging the stabilizing properties of HES with robust gel matrices, eutectozymes establish a transformative platform for heterogeneous biocatalysis, opening new avenues in biotechnology, bioelectronics, and environmental technologies.&lt;\/jats:p&gt;},<br \/>\r\nkeywords = {EJ1584, SUS-KT, Sus-KT},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('934','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_abstract\" id=\"tp_abstract_934\" style=\"display:none;\"><div class=\"tp_abstract_entry\">&lt;jats:title&gt;ABSTRACT&lt;\/jats:title&gt;<br \/>\r\n                  &lt;jats:p&gt;The development of soft hybrid materials that combine structural integrity, biocompatibility, and catalytic function is a central challenge in advanced biocatalysis. Here, we introduce eutectozymes, enzyme\u2010loaded eutectogels built from natural hydrophobic deep eutectic solvents (HES) and stabilized through a dual supramolecular polymeric network. This unique architecture not only preserves the conformational integrity of enzymes but also creates confined microcavities acting as protective microreactors, thereby enhancing their stability and substrate affinity. Eutectozymes exhibit remarkable resilience under harsh operational conditions, including high temperatures, extreme pH, and organic solvents, while maintaining high catalytic efficiency and reusability. Their versatility is further demonstrated in environmental remediation, achieving over 90% degradation of recalcitrant dyes, and in antimicrobial applications against resistant bacterial strains. By synergistically merging the stabilizing properties of HES with robust gel matrices, eutectozymes establish a transformative platform for heterogeneous biocatalysis, opening new avenues in biotechnology, bioelectronics, and environmental technologies.&lt;\/jats:p&gt;<\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('934','tp_abstract')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_934\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1002\/adma.202517014\" title=\"Follow DOI:10.1002\/adma.202517014\" target=\"_blank\">doi:10.1002\/adma.202517014<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('934','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><div class=\"tp_publication tp_publication_article tp_no_bullet\"><div class=\"tp_pub_number\">20.<\/div><div class=\"tp_pub_info\"><p class=\"tp_pub_author\"> Grabowski, S\u0142awomir J.<\/p><p class=\"tp_pub_title\"><a class=\"tp_title_link\" onclick=\"teachpress_pub_showhide('949','tp_links')\" style=\"cursor:pointer;\">A\u2013H\u00b7\u00b7\u00b7\u03c0 Hydrogen Bonds-Where Are Proton Acceptor Sites Located?<\/a> <span class=\"tp_pub_type tp_  article\">Journal Article<\/span> <\/p><p class=\"tp_pub_additional\"><em>J. Phys. Chem. A<\/em>, <strong>2025<\/strong>, 129(50), 11650--11661<\/p><p class=\"tp_pub_menu\"><span class=\"tp_resource_link\"><a id=\"tp_links_sh_949\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('949','tp_links')\" title=\"Show links and resources\" style=\"cursor:pointer;\">Links<\/a><\/span> | <span class=\"tp_bibtex_link\"><a id=\"tp_bibtex_sh_949\" class=\"tp_show\" onclick=\"teachpress_pub_showhide('949','tp_bibtex')\" title=\"Show BibTeX entry\" style=\"cursor:pointer;\">BibTeX<\/a><\/span> | <span class=\"tp_pub_tags_label\">Tags: <\/span><a rel=\"nofollow\" href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?tgid=36\" title=\"Show all publications which have a relationship to this tag\">EJ1584<\/a><\/p><div class=\"tp_bibtex\" id=\"tp_bibtex_949\" style=\"display:none;\"><div class=\"tp_bibtex_entry\"><pre>@article{Grabowski2025c,<br \/>\r\ntitle = {A\u2013H\u00b7\u00b7\u00b7\u03c0 Hydrogen Bonds-Where Are Proton Acceptor Sites Located?},<br \/>\r\nauthor = {S\u0142awomir J. Grabowski},<br \/>\r\ndoi = {10.1021\/acs.jpca.5c07398},<br \/>\r\nissn = {1520-5215},<br \/>\r\nyear  = {2025},<br \/>\r\ndate = {2025-12-18},<br \/>\r\nurldate = {2025-12-18},<br \/>\r\njournal = {J. Phys. Chem. A},<br \/>\r\nvolume = {129},<br \/>\r\nnumber = {50},<br \/>\r\npages = {11650--11661},<br \/>\r\npublisher = {American Chemical Society (ACS)},<br \/>\r\nkeywords = {EJ1584},<br \/>\r\npubstate = {published},<br \/>\r\ntppubtype = {article}<br \/>\r\n}<br \/>\r\n<\/pre><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('949','tp_bibtex')\">Close<\/a><\/p><\/div><div class=\"tp_links\" id=\"tp_links_949\" style=\"display:none;\"><div class=\"tp_links_entry\"><ul class=\"tp_pub_list\"><li><i class=\"ai ai-doi\"><\/i><a class=\"tp_pub_list\" href=\"https:\/\/dx.doi.org\/10.1021\/acs.jpca.5c07398\" title=\"Follow DOI:10.1021\/acs.jpca.5c07398\" target=\"_blank\">doi:10.1021\/acs.jpca.5c07398<\/a><\/li><\/ul><\/div><p class=\"tp_close_menu\"><a class=\"tp_close\" onclick=\"teachpress_pub_showhide('949','tp_links')\">Close<\/a><\/p><\/div><\/div><\/div><\/div><div class=\"tablenav\"><div class=\"tablenav-pages\"><span class=\"displaying-num\">1010 entries<\/span> <a class=\"page-numbers button disabled\">&laquo;<\/a> <a class=\"page-numbers button disabled\">&lsaquo;<\/a> 1 of 51 <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?limit=2&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"next page\" class=\"page-numbers button\">&rsaquo;<\/a> <a href=\"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/scientific-publications\/?limit=51&amp;tgid=&amp;yr=&amp;type=&amp;usr=&amp;auth=&amp;tsr=\" title=\"last page\" class=\"page-numbers button\">&raquo;<\/a> <\/div><\/div><\/div>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[78],"tags":[],"class_list":["post-21934","post","type-post","status-publish","format-standard","hentry","category-5_kt-seminars"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/21934","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/comments?post=21934"}],"version-history":[{"count":5,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/21934\/revisions"}],"predecessor-version":[{"id":22038,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/21934\/revisions\/22038"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=21934"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=21934"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=21934"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}