{"id":14056,"date":"2020-01-01T18:27:00","date_gmt":"2020-01-01T17:27:00","guid":{"rendered":"http:\/\/www.ehu.eus\/chemistry\/theory\/?p=14056"},"modified":"2022-02-09T10:14:33","modified_gmt":"2022-02-09T09:14:33","slug":"2020","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/3_publications\/2020\/","title":{"rendered":"2020 (Total=53)"},"content":{"rendered":"<ul>\n<li>Authors: A. Dianat, R. Gutierrez, H. Alpern, <strong>V. Mujica<\/strong>, A. Ziv, S. Yochelis, O. Millo, Y. Paltiel, G. Cuniberti<br \/>\nTitle: Role of Exchange Interactions in the Magnetic Response and Intermolecular Recognition of Chiral Molecules<br \/>\nJournal: Nano Letters<br \/>\nVolume: 20<br \/>\nPages: 7077-7086<br \/>\nYear: 2020<br \/>\nDOI:&nbsp;<a class=\"text--small\" title=\"Link to landing page via DOI\" href=\"https:\/\/doi.org\/10.1021\/acs.nanolett.0c02216\">10.1021\/acs.nanolett.0c02216<\/a><\/li>\n<\/ul>\n<ul>\n<li>Authors: Md. W. Rahman, S. Firouzeh, <strong>V. Mujica<\/strong>, S. Pramanik<br \/>\nTitle: Carrier Transport Engineering in Carbon Nanotubes by Chirality-Induced Spin Polarization<br \/>\nJournal: ACS Nano<br \/>\nVolume: 14<br \/>\nPages: 3389-3396<br \/>\nYear: 2020<br \/>\nDOI:&nbsp;<a class=\"text--small\" title=\"Link to landing page via DOI\" href=\"https:\/\/doi.org\/10.1021\/acsnano.9b09267\">10.1021\/acsnano.9b09267<\/a><\/li>\n<\/ul>\n<ul>\n<li>Authors: S. Varela, I. Zambrano, B. Berche, <strong>V. Mujica<\/strong>, E. Medina<br \/>\nTitle: Spin-orbit interaction and spin selectivity for tunneling electron transfer in DNA<br \/>\nJournal: Phys. Rev. B<br \/>\nVolume: 101<br \/>\nPages: 241410(R)<br \/>\nYear: 2020<br \/>\nDOI:&nbsp;<a class=\"text--small\" title=\"Link to landing page via DOI\" href=\"https:\/\/doi.org\/10.1103\/PhysRevB.101.241410\">10.1103\/PhysRevB.101.241410<\/a><\/li>\n<\/ul>\n<ul>\n<li>Authors: M. Peralta,  S. Feijoo,  S. Varela, <strong>V. Mujica<\/strong>, E. Medina<br \/>\nTitle: Coherence preservation and electron\u2013phonon interaction in electron transfer in DNA<br \/>\nJournal: J. Chem. Phys.<br \/>\nVolume: 153<br \/>\nPages: 165102<br \/>\nYear: 2020<br \/>\nDOI:&nbsp;<a class=\"text--small\" title=\"Link to landing page via DOI\" href=\"https:\/\/doi.org\/10.1063\/5.0023775\">10.1063\/5.0023775<\/a><\/li>\n<\/ul>\n<ul>\n<li>Authors: M. S. Z\u00f6llner, A. Saghatchi, <strong>V. Mujica<\/strong>, C. Herrmann<br \/>\nTitle: Influence of Electronic Structure Modeling and Junction Structure on First-Principles Chiral Induced Spin Selectivity<br \/>\nJournal: J. Chem. Theory Comput.<br \/>\nVolume: 16<br \/>\nPages: 7357\u20137371<br \/>\nYear: 2020<br \/>\nDOI:&nbsp;<a class=\"text--small\" title=\"Link to landing page via DOI\" href=\"https:\/\/doi.org\/10.1021\/acs.jctc.0c00621\">10.1021\/acs.jctc.0c00621<\/a><\/li>\n<\/ul>\n<ul>\n<li>Authors: Besal\u00fa-Sala P., Salvador P., <strong>Matito E.<\/strong>, Luis J.M.<br \/>\nTitle: New Density Functional for the Calculation of Second Hyperpolarizabilities.<br \/>\nJournal: Rev. Soc. Cat. Quim.<br \/>\nVolume: 22<br \/>\nPages: 11871<br \/>\nYear: 2020<br \/>\nDOI:&nbsp;<a class=\"text--small\" title=\"Link to landing page via DOI\" href=\"https:\/\/doi.org\/10.2436\/20.2003.01.114\">10.2436\/20.2003.01.114<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Lescos L., <strong>Sitkiewicz S.P.<\/strong>, Beaujean P., Blanchard-Desce M., Champagne B., <strong>Matito E.<\/strong>, Castet F.<br \/>\nTitle: Performance of DFT Functionals for Calculating the Second-Order Nonlinear Optical Properties of Dipolar Merocyanines.<br \/>\nJournal: Phys. Chem. Chem. Phys.<br \/>\nVolume: 22<br \/>\nPages: 16579<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D0CP02992K\" target=\"_blank\" rel=\"noopener\">10.1039\/D0CP02992K<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Besal\u00fa-Sala P., <strong>Sitkiewicz S.P.<\/strong>, Salvador P., <strong>Matito E.<\/strong>, Luis J.M.<br \/>\nTitle: New Optimally-Tuned Range-Separation Density Functional for the Accurate Calculation of Electronic Second Hyperpolarizabilities<br \/>\nJournal: Phys. Chem. Chem. Phys.<br \/>\nVolume: 22<br \/>\nPages: 11871<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D0CP01291B\" target=\"_blank\" rel=\"noopener\">10.1039\/D0CP01291B<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Jon Zubeltzu, Elena Formoso, Elixabete Rezabal<\/strong><br \/>\nTitle:&#8221;Lignin solvation by ionic liquids: the role of cation&#8221;<br \/>\nJournal: Journal of Molecular Liquids<br \/>\nVolume: 303<br \/>\nPages: 112588<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.molliq.2020.112588\" target=\"_blank\" rel=\"noopener\">10.1016\/j.molliq.2020.112588<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Florian D\u2019Accriscio, Alexia Ohleier, Emmanuel Nicolas, Matthieu Demange, Olivier Thillaye Du Boullay, Nathalie Saffon-Merceron, Marie Fustier-Boutignon, <strong>Elixabete Rezabal<\/strong>, Gilles Frison, Noel Nebra, Nicolas M\u00e9zailles<br \/>\nTitle:&#8221;[(dcpp)Ni(\u03b72-Arene)] Precursors: Synthesis, Reactivity, and Catalytic Application to the Suzuki\u2013Miyaura Reaction&#8221;<br \/>\nJournal: Organometallics<br \/>\nVolume: 39<br \/>\nPages: 1688<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.organomet.9b00834\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.organomet.9b00834<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Radhika Gupta, <strong>Elixabete Rezabal<\/strong>, Golshid Hasrack, Gilles Frison<br \/>\nTitle: &#8220;Comparison of Chemical and Interpretative Methods: the Carbon\u2010Boron \u03c0\u2010Bond as a Test Case&#8221;<br \/>\nJournal: Chemistry-a European Journal<br \/>\nYear: 2020<br \/>\nVolume: 26<br \/>\nPages: 1\u201313<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/chem.202001945\" target=\"_blank\" rel=\"noopener\">10.1002\/chem.202001945<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Uxua Huizi-Rayo, Junkal Gutierrez, Jose Manuel Seco, <strong>Vladimiro Mujica*<\/strong>, Ismael Diez-Perez, <strong>Jesus M. Ugalde*<\/strong>, Agnieszka Tercjak, Javier Cepeda, and Eider San Sebastian*<br \/>\nTitle: An Ideal Spin Filter: Long-Range, High-Spin Selectivity in Chiral Helicoidal 3-Dimensional Metal Organic Frameworks<br \/>\nJournal: Nano Lett.<br \/>\nYear: 2020<br \/>\nVolume: 20<br \/>\nPages: 8476\u20138482<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.nanolett.0c02349\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.nanolett.0c02349<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>A. Carreras<\/strong>, H. Jiang, P. Pokhilko, A. I. Krylov, P. M. Zimmerman, <strong>D. Casanova<\/strong><br \/>\nTitle:  Calculation of spin\u2013orbit couplings using RASCI spinless one-particle density matrices:<br \/>\nTheory and applications<br \/>\nJournal: The Journal of Chemical Physics<br \/>\nVolume:  153<br \/>\nPages:  214107<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1063\/5.0029146\" target=\"_blank\" rel=\"noopener\">10.1063\/5.0029146<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Zisheng Zhang, Zhi-Hao Cui, <strong>Elisa Jimenez-Izal<\/strong>, Philippe Sautet, Anastassia N. Alexandrova<br \/>\nTitle: Hydrogen Evolution on Restructured B-Rich WB: Metastable Surface States and Isolated Active Sites<br \/>\nJournal: ACS Catal.<br \/>\nVolume: 10<br \/>\nPages: 13867\u201313877<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acscatal.0c03410\" target=\"_blank\" rel=\"noopener\">10.1021\/acscatal.0c03410<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Lv, M. Yu, <strong>M. E. Sandoval\u2010Salinas<\/strong>, J. Xu, Z. Lei, <strong>D. Casanova<\/strong>, Y. Yang, J. Chen<br \/>\nTitle:  Engineering the Charge\u2010Transfer State to Facilitate Spin\u2013Orbit Charge Transfer Intersystem Crossing in Spirobis[anthracene]diones<br \/>\nJournal: Angew. Chem. Int. Ed.<br \/>\nVolume:  59<br \/>\nPages:  22179-22184<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/anie.202009439\" target=\"_blank\" rel=\"noopener\">10.1002\/anie.202009439<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: P. Andrade-Sampedro, A. Correa, <strong>J. M. Matxain<\/strong><br \/>\nTitle: On the Mechanism of Cross-Dehydrogenative Couplings between N-aryl Glycinates and Indoles: A Computational Study<br \/>\nJournal: Journal of Organic Chemistry<br \/>\nVolume: 85<br \/>\nPages: 13133 &#8211; 13140<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.joc.0c01816\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.joc.0c01816<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: E. San Sebastian, J. Cepeda, U. Huizi-Rayo, A. Terenzi, D. Finkelstein-Shapiro, D. Padro, J. I. Santos, <strong>J. M. Matxain<\/strong>, <strong>J. M. Ugalde<\/strong>, <strong>V. Mujica<\/strong><br \/>\nTitle: Enantiospecific Response in Cross-Polarization Solid-State Nuclear Magnetic Resonance of Optically Active Metal Organic Frameworks<br \/>\nJournal: Journal of the American Chemical Society<br \/>\nVolume: 142<br \/>\nPages: 17989-17996<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/jacs.0c04537\" target=\"_blank\" rel=\"noopener\">10.1021\/jacs.0c04537<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>O. Uranga-Barandiaran<\/strong>, <strong>D. Casanova<\/strong>, F. Castet<br \/>\nTitle:  Flavylium Fluorophores as Near-Infrared Emitters<br \/>\nJournal: ChemPhysChem<br \/>\nVolume:  21<br \/>\nPages:  2243-2248<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.202000544\" target=\"_blank\" rel=\"noopener\">10.1002\/cphc.202000544<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Hydrogen Bond and Other Lewis Acid\u2013Lewis Base Interactions as Preliminary Stages of Chemical Reactions<br \/>\nJournal: Molecules (special issue)<br \/>\nVolume: 25<br \/>\nPages: 4668<br \/>\nYear: 2020<br \/>\ndoi:10.3390\/molecules25204668<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3390\/molecules25204668\" target=\"_blank\" rel=\"noopener\">10.3390\/molecules25204668<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Sawssen Elleuchi, <strong>Iker Ortiz de Luzuriaga<\/strong>, \u00c1ngel Sanchez-Gonzalez, <strong>Xabier Lopez<\/strong>, Khaled Jarraya, Maria Jos\u00e9 Calhorda, Adri\u00e0 Gil<br \/>\nTitle: Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands<br \/>\nJournal: Inorganic Chemistry<br \/>\nVolume: 59<br \/>\nPages: 12711-12721<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.inorgchem.0c01793\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.inorgchem.0c01793<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>R. Grande-Aztatzi<\/strong>, <strong>E. Formoso<\/strong>, J. I. Mujika, <strong>D. de Sancho<\/strong>, <strong>X. Lopez<\/strong><br \/>\nTitle: Theoretical characterization of Al(III) binding to KSPVPKSPVEEKG: Insights into the propensity of aluminum to interact with key sequences for neurofilament formation<br \/>\nJournal: Journal of Inorganic Biochemistry<br \/>\nVolume: 210<br \/>\nPages: 111169<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2020.111169\" target=\"_blank\" rel=\"noopener\">10.1016\/j.jinorgbio.2020.111169<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Aarabi, S. Gholami, <strong>S.J. Grabowski<\/strong><br \/>\nTitle: S-H\u2026O and O-H\u2026O Hydrogen Bonds-Comparison of Dimers of Thiocarboxylic and Carboxylic Acids<br \/>\nJournal: ChemPhysChem (the cover feature, Special Collection)<br \/>\nVolume: 21<br \/>\nPages: 1653-1664<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.202000131\" target=\"_blank\" rel=\"noopener\">10.1002\/cphc.202000131<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Molecular Hydrogen as a Lewis Base in Hydrogen Bonds and Other Interactions<br \/>\nJournal: Molecules (special issue)<br \/>\nVolume: 25<br \/>\nPages: 3294<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3390\/molecules25143294\" target=\"_blank\" rel=\"noopener\">10.3390\/molecules25143294<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>M. Zubiria-Ulacia<\/strong>, <strong>J. M. Matxain<\/strong>, <strong>D. Casanova<\/strong><br \/>\nTitle: The role of CT excitations in PDI aggregates<br \/>\nJournal: Physical Chemistry Chemical Physics<br \/>\nVolume: 22<br \/>\nPages: 15908-15918<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D0CP02344B\" target=\"_blank\" rel=\"noopener\">10.1039\/D0CP02344B<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>I. Mitxelena<\/strong>, <strong>M. Piris<\/strong><br \/>\nTitle: Analytic gradients for spin multiplets in natural orbital functional theory<br \/>\nJournal: J. Chem. Phys.<br \/>\nVolume: 153<br \/>\nPages: 044101<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1063\/5.0012897\" target=\"_blank\" rel=\"noopener\">10.1063\/5.0012897<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: I. Rivilla, B. Aparicio, J. M. Bueno, <strong>D. Casanova<\/strong>, <strong>C. Tonnel\u00e9<\/strong>, Z. Freixa, P. Herrero, C. Rogero, J. I. Miranda, R. M. Mart\u00ednez-Ojeda, F. Monrabal, B. Olave, T. Sh\u00e4fer, P. Artal, D. Nygren, F. P. Coss\u00edo, J. J. G\u00f3mez-Cadenas<br \/>\nTitle: Fluorescent bicolour sensor for low-background neutrinoless double \u03b2 decay experiments<br \/>\nJournal: Nature<br \/>\nVolume: 583<br \/>\nPages: 48-54<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1038\/s41586-020-2431-5\" target=\"_blank\" rel=\"noopener\">10.1038\/s41586-020-2431-5<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Wang Z.-C., Tkachenko N.V., Qiao L.,<strong>Matito E.<\/strong>, Mu\u00f1oz-Castro A., Boldyrev A.I., Sun Z.-M.<br \/>\nTitle: All-Metal sigma-Antiaromaticity in Dimeric Cluster Anion {[CuGe9Mes]2}4-.<br \/>\nJournal: Chem. Comm.<br \/>\nVolume: 56<br \/>\nPages: 6583<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/d0cc02525a\" target=\"_blank\" rel=\"noopener\">10.1039\/d0cc02525a<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: The Nature of Triel Bonds, a Case of B and Al Centres<br \/>\nBonded with Electron Rich Sites<br \/>\nJournal: Molecules (special issue)<br \/>\nVolume: 25<br \/>\nPages: 2703<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3390\/molecules25112703\" target=\"_blank\" rel=\"noopener\">10.3390\/molecules25112703<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Hydrogen Bonds with BF4- Anion as a Proton Acceptor<br \/>\nJournal: Crystals (special issue)<br \/>\nVolume: 10<br \/>\nPages: 460<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3390\/cryst10060460\" target=\"_blank\" rel=\"noopener\">10.3390\/cryst10060460<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: J. He, <strong>D. Casanova<\/strong>, W-H. Fang, R. Long, O. V. Prezhdo<br \/>\nTitle: MAI Termination Favors Efficient Hole Extraction and Slow Charge Recombination<br \/>\nat the MAPbI3\/CuSCN Heterojunction<br \/>\nJournal: J. Phys. Chem. Lett.<br \/>\nVolume: 11<br \/>\nPages: 4481-4489<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpclett.0c01467\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpclett.0c01467<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors:  David J. Reilley,  Jack T. Fuller III,  Michael R. Nechay,  Marie Victor, Wei Li,  Josiah D. Ruberry, Jon I. Mujika, <strong>Xabier Lopez<\/strong>, and Anastassia N. Alexandrova<br \/>\nTitle:  Toxic and Physiological Metal Uptake and Release by Human Serum Transferrin<br \/>\nJournal: Biophysical Journal<br \/>\nVolume: 118<br \/>\nPages: 1-10<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.bpj.2020.05.006\" target=\"_blank\" rel=\"noopener\">10.1016\/j.bpj.2020.05.006<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: G. Salvitti, F. Negri, A. J. J. P\u00e9rez-Jim\u00e9nez, E. San-Fabi\u00e1n, <strong>D. Casanova<\/strong>, J. C. Sancho-Garc\u00eda<br \/>\nTitle: Investigating the (Poly)Radicaloid Nature of Real-World Organic Compounds with DFT-Based Methods<br \/>\nJournal: J. Phys. Chem. A<br \/>\nVolume: 124<br \/>\nPages: 3590-3600<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpca.0c01239\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpca.0c01239<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Virginia San Nacianceno, Mar\u00eda A. Garralda, <strong>Jon M. Matxain<\/strong>, Zoraida Freixa<br \/>\nTitle: Proton-responsive Ruthenium(II) Catalysts for the Solvolysis of Ammonia-Borane (Cover)<br \/>\nJournal: Organometallics<br \/>\nVolume: 39<br \/>\nPages: 1238-1248<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.organomet.0c00032\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.organomet.0c00032<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Catherin, <strong>O. Uranga-Barandiaran<\/strong>, A. Brosseau, R. M\u00e9tivier, D. Canard, A. D\u2019Al\u00e9o, <strong>D. Casanova<\/strong>, F. Castet, F. Fages<br \/>\nTitle: Exciton interactions, excimer formation, and [2pi+2pi] photodimerization in nonconjugated curcuminoid-BF2 dimers<br \/>\nJournal: Chem. Eur. J.<br \/>\nVolume: 26<br \/>\nPages: 3818-3828<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/chem.201905122\" target=\"_blank\" rel=\"noopener\">10.1002\/chem.201905122<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Joanna Izabela Lachowicz, Gabriele Dalla Torre, Rosita Cappai, Enrico Randaccio, Valeria M. Nurchi, Remigiusz Bachor, Zbigniew Szewczuk, Lukasz Jaremko, Mariusz Jaremko, Maria Barbara Pisano, Sofia Cosentino, Germano Orr\u00f9, Antonella Ibba, Joni Mujika and <strong>Xabier Lopez<\/strong><br \/>\nTitle: Metal self-assembly mimosine peptides with enhanced antimicrobial activity: towards a new generation of multitasking chelating agents<br \/>\nJournal: Dalton Transactions<br \/>\nVolume: 49<br \/>\nPages: 2862-2879<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/C9DT04545G\" target=\"_blank\" rel=\"noopener\">10.1039\/C9DT04545G<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>D. Casanova<\/strong>, A. Krylov<br \/>\nTitle: Spin-Flip Methods in Quantum Chemistry<br \/>\nJournal: Physical Chemistry Chemical Physics<br \/>\nVolume: 22<br \/>\nPages: 4326 &#8211; 4342<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/C9CP06507E\" target=\"_blank\" rel=\"noopener\">10.1039\/C9CP06507E<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Interactions Steering Arrangement of Molecules in Crystals<br \/>\nJournal: Crystals<br \/>\nVolume: 10<br \/>\nPages: 130<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3390\/cryst10020130\" target=\"_blank\" rel=\"noopener\">10.3390\/cryst10020130<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Ion Mitxelena<\/strong>, <strong>Mario Piris<\/strong><br \/>\nTitle: An efficient method for strongly correlated electrons in two-dimensions<br \/>\nJournal: J. Chem. Phys.<br \/>\nVolume: 152<br \/>\nPages: 064108<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1063\/1.5140985\" target=\"_blank\" rel=\"noopener\">10.1063\/1.5140985<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>I. Casademont-Reig<\/strong>, <strong>E. Ramos-Cordoba<\/strong>, Torrent-Sucarrat M., <strong>E. Matito<\/strong><br \/>\nTitle: How Do the H\u00fcckel and the Baird Rules Fade Away in Annulenes?<br \/>\nJournal: Molecules<br \/>\nVolume: 25<br \/>\nPages: 711<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3390\/molecules25030711\" target=\"_blank\" rel=\"noopener\">10.3390\/molecules25030711<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>Ion Mitxelena<\/strong>, <strong>Mario Piris<\/strong><br \/>\nTitle: An efficient method for strongly correlated electrons in one dimension<br \/>\nJournal: J. Phys.: Condens. Matter<br \/>\nVolume: 32<br \/>\nPages: 17LT01<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1088\/1361-648X\/ab6d11\" target=\"_blank\" rel=\"noopener\">10.1088\/1361-648X\/ab6d11<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Aitzol Garc\u00eda-Etxarri, <strong>Jesus M. Ugalde<\/strong>, Juan Jose S\u00e1enz, <strong>Vladimiro Mujica<\/strong><br \/>\nTitle: Field-Mediated Chirality Information Transfer in Molecule\u2013Nanoparticle Hybrids<br \/>\nJournal: J. Phys. Chem. C<br \/>\nVolume: 124<br \/>\nPages: 1560-1565<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpcc.9b07670\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpcc.9b07670<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Triel bond and coordination of triel centres \u2013 Comparison with hydrogen bond interaction<br \/>\nJournal: Coordination Chemistry Reviews<br \/>\nVolume: 407<br \/>\nPages: 213171 (21 pages)<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.ccr.2019.213171\" target=\"_blank\" rel=\"noopener\">10.1016\/j.ccr.2019.213171<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Waszkielewicz, J. Olesiak\u2013Banska, <strong>M. Grzelczak<\/strong>, A. S\u00e1nchez\u2013Iglesias, A. Pniakowska, M. Samoc<br \/>\nTitle: Enhanced one-photon and two-photon excited luminescence of polymer-stabilized AuAg nanoclusters aggregates<br \/>\nJournal: J. Lumin.<br \/>\nVolume: 221<br \/>\nPages: 116994<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.jlumin.2019.116994\" target=\"_blank\" rel=\"noopener\">10.1016\/j.jlumin.2019.116994<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: N. Tarnowicz-Staniak, S. V\u00e1zquez-D\u00edaz, V. Pavlov, K. Matczyszyn, <strong>M. Grzelczak<\/strong><br \/>\nTitle: Cellulose as an Inert Scaffold in Plasmon-Assisted Photoregeneration of Cofactor Molecules<br \/>\nJournal: ACS Appl. Mater. Interfaces<br \/>\nVolume: 12<br \/>\nPages: 19377\u201319383<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acsami.9b21556\" target=\"_blank\" rel=\"noopener\">10.1021\/acsami.9b21556<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Sanrom\u00e1n-Iglesias, <strong>M. Grzelczak<\/strong><br \/>\nTitle: Using gold nanoparticles to detect single-nucleotide polymorphisms: toward liquid biopsy<br \/>\nJournal: Beilstein J. Nanotechnol.<br \/>\nVolume: 11<br \/>\nPages: 263\u2013284<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.3762\/bjnano.11.20\" target=\"_blank\" rel=\"noopener\">10.3762\/bjnano.11.20<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: S.A. Mezzasalma, <strong>M. Grzelczak<\/strong>, J. Sancho-Parramon<br \/>\nTitle: The Crystal Field Plasmon Splitting<br \/>\nJournal: ACS Photonics.<br \/>\nVolume: 7<br \/>\nPages: 1551\u20131559<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acsphotonics.0c00381\" target=\"_blank\" rel=\"noopener\">10.1021\/acsphotonics.0c00381<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: J. Kruse, S. Merkens, A. Chuvilin, <strong>M. Grzelczak<\/strong><br \/>\nTitle: Kinetic and Thermodynamic Hysteresis in Clustering of Gold Nanoparticles: Implications for Nanotransducers and Information Storage in Dynamic Systems<br \/>\nJournal: ACS Appl. Nano Mater.<br \/>\nVolume: 3<br \/>\nPages: 9520\u20139527<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acsanm.0c02249\" target=\"_blank\" rel=\"noopener\">10.1021\/acsanm.0c02249<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: T. Hendel, V. Krivenkov, A. S\u00e1nchez-Iglesias, <strong>M. Grzelczak<\/strong>, Y.P. Rakovich<br \/>\nTitle: Strongly coupled exciton\u2013plasmon nanohybrids reveal extraordinary resistance to harsh environmental stressors: temperature, pH and irradiation<br \/>\nJournal: Nanoscale<br \/>\nVolume: 12<br \/>\nPages: 16875\u201316883<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D0NR04298F\" target=\"_blank\" rel=\"noopener\">10.1039\/D0NR04298F<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: A. Escobar, N.E. Muzzio, \u00c1. Mart\u00ednez, A. Abarrategi, E. Bindini, <strong>M. Grzelczak<\/strong>, A.V. Bordoni, P.C. Angelom\u00e9, S.E. Moya<br \/>\nTitle: Mesoporous Titania Coatings with carboxylated Pores for Complexation and slow Delivery of Strontium for osteogenic Induction<br \/>\nJournal: Appl. Surf. Sci.<br \/>\nVolume: 510<br \/>\nPages: 145172<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.apsusc.2019.145172\" target=\"_blank\" rel=\"noopener\">10.1016\/j.apsusc.2019.145172<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M.A. Aboudzadeh, A. Iturrospe, A. Arbe, <strong>M. Grzelczak<\/strong>, F. Barroso-Bujans<br \/>\nTitle: Cyclic Polyethylene Glycol as Nanoparticle Surface Ligand<br \/>\nJournal: ACS Macro Lett.<br \/>\nVolume: 9<br \/>\nPages: 1604\u20131610<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acsmacrolett.0c00730\" target=\"_blank\" rel=\"noopener\">10.1021\/acsmacrolett.0c00730<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>L.F. Mazzei<\/strong>, <strong>A. Mart\u00ednez<\/strong>, L. Trevisan, D. Rosa-Gastaldo, A. L. Cortajarena, F. Mancin, <strong>L. Salassa<\/strong><br \/>\nTitle: Toward Supramolecular Nanozymes For The Photocatalytic Activation of Pt(IV) Anticancer Prodrugs<br \/>\nJournal: Chem. Commun.<br \/>\nVolume: 56<br \/>\nPages: 10461-10464<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/d0cc03450a\" target=\"_blank\" rel=\"noopener\">10.1039\/d0cc03450a<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: F. Guarra, A. Terenzi, C. Pirker, R. Passannante, D. Baier, E. Zangrando, V. G\u00f3mez, T. Biver, C. Gabbiani, W. Berger, J. Llop, <strong>L. Salassa<\/strong><br \/>\nTitle: 124I-Radiolabeling of a Au(III)-NHC Complex for in Vivo Biodistribution Studies<br \/>\nJournal: Angew. Chem. Int. Ed.<br \/>\nVolume: 59<br \/>\nPages: 17130-17136<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/anie.202008046\" target=\"_blank\" rel=\"noopener\">10.1002\/anie.202008046<\/a><\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: <strong>J. Gurruchaga-Pereda<\/strong>, V. Mart\u00ednez-Mart\u00ednez, <strong>E. Rezabal, X. Lopez<\/strong>, C. Garino, F. Mancin, A. L. Cortajarena, <strong>L. Salassa<\/strong><br \/>\nTitle: Flavin Bioorthogonal Photocatalysis Toward Platinum Substrates.<br \/>\nJournal: ACS Catalysis<br \/>\nVolume: 10<br \/>\nPages: 187-196<br \/>\nYear: 2020<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acscatal.9b02863\" target=\"_blank\" rel=\"noopener\">10.1021\/acscatal.9b02863<\/a><\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Authors: A. Dianat, R. Gutierrez, H. Alpern, V. Mujica, A. Ziv, S. Yochelis, O. Millo, Y. Paltiel, G. Cuniberti Title: Role of Exchange Interactions in the Magnetic Response and Intermolecular Recognition of Chiral Molecules Journal: Nano Letters Volume: 20 Pages: 7077-7086 Year: 2020 DOI:&nbsp;10.1021\/acs.nanolett.0c02216 Authors: Md. W. Rahman, S. Firouzeh, V. Mujica, S. Pramanik Title: [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[68],"tags":[],"class_list":["post-14056","post","type-post","status-publish","format-standard","hentry","category-3_publications"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/14056","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=14056"}],"version-history":[{"count":77,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/14056\/revisions"}],"predecessor-version":[{"id":15631,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/14056\/revisions\/15631"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=14056"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=14056"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=14056"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}