{"id":11043,"date":"2017-10-22T17:18:37","date_gmt":"2017-10-22T15:18:37","guid":{"rendered":"http:\/\/www.ehu.eus\/chemistry\/theory\/?p=11043"},"modified":"2018-09-11T11:20:03","modified_gmt":"2018-09-11T09:20:03","slug":"2017-talks-and-conference-contributions","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/2017-talks-and-conference-contributions\/","title":{"rendered":"2017 Talks, Conference Contributions &#038; Assistance"},"content":{"rendered":"<ul>\n<li style=\"list-style-type: none;\">\n<ul>\n<li>Authors: E. Formoso, J.I. Mujika, R. Grande-Aztatzi, X. Lopez<br \/>\nTitle: How Computational Studies Can Help Elucidating the Bioinorganic Chemistry of Aluminum<br \/>\nType of contribution: Invited Lecture<br \/>\nConference name: Workshop dedicated to the life-time achievements of Prof. Manuel Y\u00e1\u00f1ez<br \/>\nLocation\/Venue: Donostia, Spain \/ Donostia International Physics Center<br \/>\nStart date: 26\/10\/2017<br \/>\nEnd date: 27\/10\/2017\n<\/li>\n<\/ul>\n<ul>\n<li>Authors: O. Uranga, E. Zabarova, F. Fages, F. Castet, D. Casanova<br \/>\nTitle: Aggregates of Quadrupolar Dyes: The Role of Interchromophoric Interactions on the Conventional Kasha\u2019s Model<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)<br \/>\nLocation\/Venue: Munich, Germany \/ Gasteig<br \/>\nStart date: 27\/08\/2017<br \/>\nEnd date: 01\/09\/2017<\/li>\n<\/ul>\n<ul>\n<li>Authors: Mar\u00eda Eugenia Sandoval-Salinas, Tullimilli Y. Gopalakrishna, Liu Chunchen, Jishan Wu, David Casanova<br \/>\nTitle: pi-Conjugated Macrocycles with High Radical Character<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)<br \/>\nLocation\/Venue: Munich, Germany \/ Gasteig<br \/>\nStart date: 27\/08\/2017<br \/>\nEnd date: 01\/09\/2017<\/li>\n<\/ul>\n<ul>\n<li>Authors: Mar\u00eda Eugenia Sandoval-Salinas<br \/>\nTitle: pi-Conjugated Macrocycles with High Radical Character<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: 6th Workshop on Theoretical Chemistry and Computational Modelling<br \/>\nLocation\/Venue: Barcelona, Spain<br \/>\nStart date: 08\/09\/2017<br \/>\nEnd date: 08\/09\/2017<\/li>\n<\/ul>\n<ul>\n<li>Authors: Mar\u00eda Eugenia Sandoval-Salinas, Tullimilli Y. Gopalakrishna, Liu Chunchen, Jishan Wu, David Casanova<br \/>\nTitle: pi-Conjugated Macrocycles with High Radical Character<br \/>\nType of contribution: Poster<br \/>\nConference name: European Summerschool in Quantum Chemistry 2017<br \/>\nLocation\/Venue: Palermo, Italy \/ Hotel Torre Normanna<br \/>\nStart date: 10\/09\/2017<br \/>\nEnd date: 23\/09\/2017<\/li>\n<\/ul>\n<div><strong>54.- Type of contribution:<\/strong> Oral Presentation<br \/>\n<strong>Authors:<\/strong> Rodr\u00edguez-Mayorga M.<br \/>\n<strong>Conference:<\/strong> International Workshop on \u2018New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement\u2019<br \/>\n<strong>Title:<\/strong> Steeplechase for 2D approximations<br \/>\n<strong>Place:<\/strong> Laussane (Switzerland)<br \/>\n<strong>Date:<\/strong> 26-29 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>53.- Type of contribution:<\/strong> Oral Communication<br \/>\n<strong>Authors:<\/strong> J. Mitxelena., M. Piris<br \/>\n<strong>Conference:<\/strong> International Workshop on \u2018New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement\u2019<br \/>\n<strong>Title:<\/strong> Recent advances in NOF Theory<br \/>\n<strong>Place:<\/strong> Palermo (Italy)<br \/>\n<strong>Date:<\/strong> 26-29 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>52.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> M. Piris<br \/>\n<strong>Conference:<\/strong> International Workshop on \u2018New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement\u2019<br \/>\n<strong>Title:<\/strong> NOF-MP2: A global method for the electron correlation<br \/>\n<strong>Place:<\/strong> Lausanne (Switzerland)<br \/>\n<strong>Date:<\/strong> 26 &#8211; 29 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>51.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Matito E.<br \/>\n<strong>Conference:<\/strong> International Workshop on \u2018New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement\u2019<br \/>\n<strong>Title:<\/strong> Separation of Dynamic and Nondynamic Correlation<br \/>\n<strong>Place:<\/strong> Lausanne (Switzerland)<br \/>\n<strong>Date:<\/strong> 26 &#8211; 29 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>50.- Type of contribution:<\/strong> Oral Presentation<br \/>\n<strong>Authors:<\/strong> A. Andreas Heidenreich<br \/>\n<strong>Conference:<\/strong> Clustertreffen 2017<br \/>\n<strong>Title:<\/strong> Dopant-induced ignition of helium nanodroplets \u2013 a mechanistic study<br \/>\n<strong>Place:<\/strong> Bacharach (Germany)<br \/>\n<strong>Date:<\/strong> 24-29 September, 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>49.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Rodriguez-Mayorga, M., Via-Nadal, M., Ramos-Cordoba, E., Matito, E<br \/>\n<strong>Conference:<\/strong> 16th European Summer School on Quantum Chemistry (ESQC 2017)<br \/>\n<strong>Title:<\/strong> Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions<br \/>\n<strong>Place:<\/strong> Palermo (Italy)<br \/>\n<strong>Date:<\/strong> 10 &#8211; 23 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>48.- Type of contribution:<\/strong> Invited Talk<br \/>\n<strong>Authors:<\/strong> Via-Nadal, M., Garcia-Borr\u00e0s, M., Luis, J.M., Matito, E.<br \/>\n<strong>Conference:<\/strong> 6th Workshop in European Doctorate of Theoretical Chemistry and Computational Modelling (TCCM)<br \/>\n<strong>Title:<\/strong> Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes<br \/>\n<strong>Place:<\/strong> Barcelona<br \/>\n<strong>Date:<\/strong> 8 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>47.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Irene Casademont Reig<br \/>\n<strong>Conference:<\/strong> 6th Workshop on Theoretical Chemistry and Computational Modelling (6th TCCM Workshop)<br \/>\n<strong>Title:<\/strong> Unvealing the aromaticity of a six-porphyrin nanoring<br \/>\n<strong>Place:<\/strong> Barcelona<br \/>\n<strong>Date:<\/strong> 8 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>46.- Type of contribution:<\/strong> Invited tTalk<br \/>\n<strong>Authors:<\/strong> Rodriguez-Mayorga, M., Via-Nadal, M., Ramos-Cordoba, E., Matito, E<br \/>\n<strong>Conference:<\/strong> 11th European Conference on Theoretical and Computational Chemistry (EUCO-TCC)<br \/>\n<strong>Title:<\/strong> Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions<br \/>\n<strong>Place:<\/strong> Barcelona<br \/>\n<strong>Date:<\/strong> 4 &#8211; 7 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>45.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Irene Casademont Reig<br \/>\n<strong>Conference:<\/strong> 11th European Conference on Theoretical and Computational Chemistry (EUCO-TCC 2017)<br \/>\n<strong>Title:<\/strong> Computational Modeling of Versatile Photosensitizers<br \/>\n<strong>Place:<\/strong> Barcelona<br \/>\n<strong>Date:<\/strong> 4 &#8211; 7 September 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>44.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> S.J. Grabowski<br \/>\n<strong>Conference:<\/strong> Modeling Interactions in Biomolecules VIII<br \/>\n<strong>Title:<\/strong> Dual character of boron as a Lewis acid center \u2013 ab initio calculations and QTAIM analysis<br \/>\n<strong>Place:<\/strong> Plze\u0148 (Czech Republic)<br \/>\n<strong>Date:<\/strong> 3-8 September, 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>43.- Type of contribution:<\/strong> Chairman of the session<br \/>\n<strong>Authors:<\/strong> S.J. Grabowski<br \/>\n<strong>Conference:<\/strong> Modeling Interactions in Biomolecules VIII<br \/>\n<strong>Place:<\/strong> Plze\u0148 (Czech Republic)<br \/>\n<strong>Date:<\/strong> 3-8 September, 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>42.- Type of contribution: <\/strong>Oral Communication<strong><br \/>\nAuthors: <\/strong>X. Lopez<strong><br \/>\nConference: <\/strong>11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<strong><br \/>\nTitle: <\/strong>Insights into the Structural Toxicity of Aluminum with Biomolecules, using a Computational Approach<strong><br \/>\nPlace: <\/strong>Munich (Germany)<strong><br \/>\nDate: <\/strong>27 August \u2013 1 September 2017<\/p>\n<div><strong>41.- Type of contribution:<\/strong> Oral Communication<br \/>\n<strong>Authors:<\/strong> J. M. Matxain<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title: <\/strong>Transition Metal Doped Magnetic Zn12S12Nanoparticles<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/p>\n<div><\/div>\n<div><strong>40.- Type of contribution:<\/strong> Oral Communication<br \/>\n<strong>Authors:<\/strong> M. Piris<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title:<\/strong> NOF-MP2: A global method for the electron correlation<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>39.- Type of contribution:<\/strong> Oral communication<br \/>\n<strong>Authors:<\/strong> Matito E., Rodr\u00edguez-Mayorga M., Ramos-Cordoba E., Via-Nadal M., Salvador P.<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title:<\/strong> Separation of Dynamic and Nondynamic Correlation<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>38.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> E. Formoso, X. Lopez<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title:<\/strong> Aluminum interaction with serine and O-phosphoserine<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>37.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Rodr\u00edguez-Mayorga M.<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title:<\/strong> Steeplechase for 2D approximations<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div>\n<div><strong>36.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Jon Uranga<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title:<\/strong><br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>35.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Irene Casademont Reig<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC2017)<br \/>\n<strong>Title:<\/strong> Computational Modeling of Versatile Photosensitizers<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<\/div>\n<div><strong>34.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Rafael Grande-Aztatzi, Jose M. Mercero, Jesus M. Ugalde<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemistry (WATOC2017)<br \/>\n<strong>Title:<\/strong> [SbnAunSbn]m (n= 4,5,6; m= -2, -1, -2) sandwich complexes as host of elements from groups I and II<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August \u2013 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>33.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Rodriguez-Mayorga, M., Via-Nadal, M., Ramos-Cordoba, E., Matito, E<br \/>\n<strong>Conference:<\/strong> 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)<br \/>\n<strong>Title:<\/strong> Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions<br \/>\n<strong>Place:<\/strong> Munich (Germany)<br \/>\n<strong>Date:<\/strong> 27 August &#8211; 1 September 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div>\n<div><strong>32.- Type of contribution:<\/strong> Oral communication<br \/>\n<strong>Authors:<\/strong> Matito E.<br \/>\n<strong>Conference:<\/strong> 17th International Conference on Density-Functional Theory and its Applications (DFT 2017)<br \/>\n<strong>Title:<\/strong> DFT functional assessment from quasi-exact energies and densities at different correlation regimes<br \/>\n<strong>Place:<\/strong> T\u00e4llberg (Sweden)<br \/>\n<strong>Date:<\/strong> 21 &#8211; 25 August 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>31.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> M. Piris<br \/>\n<strong>Conference:<\/strong> 17th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC 2017)<br \/>\n<strong>Title:<\/strong> NOF-MP2: A global method for the electron correlation<br \/>\n<strong>Place:<\/strong> Shropshire (United Kingdom)<br \/>\n<strong>Date:<\/strong> 10-14 July 2017<\/div>\n<div><\/div>\n<div>\n<div><strong>30.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> Alonso-de Castro, S., Salassa, L.<br \/>\n<strong>Conference:<\/strong> X Reuni\u00f3n Cient\u00edfica de Bioinorg\u00e1nica de la AEBIN<br \/>\n<strong>Title:<\/strong> Efficient and bioorthogonal photoactivation of anticancer prodrugs using flavins<br \/>\n<strong>Place:<\/strong> Bilbao<br \/>\n<strong>Date:<\/strong> 7-9 July 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>29.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Alonso-de Castro, S., Salassa, L.<br \/>\n<strong>Conference:<\/strong> X Reuni\u00f3n Cient\u00edfica de Bioinorg\u00e1nica de la AEBIN<br \/>\n<strong>Title:<\/strong> Unconventional modes of photoactivation for anticancer metal-based prodrugs<br \/>\n<strong>Place:<\/strong> Bilbao<br \/>\n<strong>Date:<\/strong> 7-9 July 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div>\n<div>\n<div><strong>28.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> Alonso-de Castro, S., Salassa, L.<br \/>\n<strong>Conference:<\/strong> Applications of Photoactive Coordination Compounds conference: a preconference of the 22nd International Symposium on the Photophysics and Photochemistry of Coordination Compounds<br \/>\n<strong>Title:<\/strong> Bioorthogonal photocatalytic activation of PtIV anticancer prodrugs<br \/>\n<strong>Place:<\/strong> University of St. Andrews (Scotland)<br \/>\n<strong>Date:<\/strong> 5-7 July 2017<\/div>\n<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>27.- Type of contribution:<\/strong> Oral Presentation<br \/>\n<strong>Authors:<\/strong> Rodr\u00edguez-Mayorga M.<br \/>\n<strong>Conference:<\/strong> XLIII Congress of Theretical Chemist of Latin Expression<br \/>\n<strong>Title:<\/strong> Breaking bond from an intracule perspective<br \/>\n<strong>Place:<\/strong> Paris (France)<br \/>\n<strong>Date:<\/strong> 3-7 July 2017<\/div>\n<div><\/div>\n<div>\n<div><strong>26.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> E. Formoso, Jon I. Mujika, Rafael Grande-Aztatzi, and X. Lopez<br \/>\n<strong>Conference:<\/strong> 8th Internacional Theoretical Biophysics Symposium. (TheoBio2017)<br \/>\n<strong>Title:<\/strong> How computational studies can help elucidating the bioinorganic chemistry of aluminum<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 26-30 June 2017<\/div>\n<p>&nbsp;<\/p>\n<div><strong>25.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> J. I. Mujika<br \/>\n<strong>Conference:<\/strong> 8th Internacional Theoretical Biophysics Symposium. (TheoBio2017)<br \/>\n<strong>Title:<\/strong> Elucidating the 3D Structure of the Al(III)-A\u03b2 Amyloid Complex: a Computational Strategy in Absence of a Template<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 26-30 June 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>24.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> G. Dalla Torre<br \/>\n<strong>Conference:<\/strong> 8th Internacional Theoretical Biophysics Symposium. (TheoBio2017)<br \/>\n<strong>Title: <\/strong>Computational approach to aluminum biochemistry<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 26-30 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>23.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> J. Uranga<br \/>\n<strong>Conference:<\/strong> 8th Internacional Theoretical Biophysics Symposium. (TheoBio2017)<br \/>\n<strong>Title:<\/strong> Protein Oxidation mechanisms via OH radical<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 26-30 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>22.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Alonso-de Castro, S., J. Gurruchaga-Pereda, Salassa, L.<br \/>\n<strong>Conference:<\/strong> 8th Internacional Theoretical Biophysics Symposium. (TheoBio2017)<br \/>\n<strong>Title:<\/strong> Unconventional modes of photoactivation for anticancer metal-based prodrugs<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 26-30 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>21.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Rafael Grande-Aztatzi,Elena Formoso, Jon I. Mujika, Jesus M. Ugalde, Xabier Lopez<br \/>\n<strong>Conference:<\/strong> 8th Internacional Theoretical Biophysics Symposium. (TheoBio2017)<br \/>\n<strong>Title:<\/strong> Coordination of Al(III) to neurofilament fragments<br \/>\n<strong>Place:<\/strong> Donostia (Spain)<br \/>\n<strong>Date:<\/strong> 26-30 June 2017<\/div>\n<div><\/div>\n<div>\n<div><strong>20.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Irene Casademont Reig<br \/>\n<strong>Conference:<\/strong> Symposium Bordeaux-Euskampus<br \/>\n<strong>Title:<\/strong> Computational modeling of a Cu-based family of photosensitizers<br \/>\n<strong>Place:<\/strong> Bordeaux (France)<br \/>\n<strong>Date:<\/strong> 26-27 June 2017<\/div>\n<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>19.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Matito E., Casademont I., Ramos-Cordoba E., Torrent-Sucarrat M.<br \/>\n<strong>Conference:<\/strong> International Conference on Chemical Bonding. ICCB-2017<br \/>\n<strong>Title:<\/strong> Conjugation and Aromaticity in Large Circuits<br \/>\n<strong>Place:<\/strong> Kauai (USA)<br \/>\n<strong>Date:<\/strong> 22-26 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>18.- Type of contribution:<\/strong> Poster<br \/>\n<strong>Authors:<\/strong> Alonso-de Castro, S., E. Rezabal, X. Lopez F. L\u00f3pez-Gallego, Salassa, L.<br \/>\n<strong>Conference:<\/strong> 16th International Photodynamic Association World Congress<br \/>\n<strong>Title:<\/strong> Bioorthogonal Photoactivation Of Metal-Based Anticancer Prodrugs<br \/>\n<strong>Place:<\/strong> Coimbra (Portugal)<br \/>\n<strong>Date:<\/strong> 8-13 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>17.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> Salassa, L.<br \/>\n<strong>Conference:<\/strong> From Bioinorganic Chemistry to Catalysis, Donostia International Physics Center Workshop<br \/>\n<strong>Title:<\/strong> Bioorthogonal photocatalytic activation of metal-based prodrugs<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 6 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>16.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> J. M. Matxain<br \/>\n<strong>Conference:<\/strong> From Bioinorganic Chemistry to Catalysis, Donostia International Physics Center Workshop<br \/>\n<strong>Title:<\/strong> Magnetic endohedral TM@Zn12S12 nanoclusters: A predictive work<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 6 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>15.- Type of contribution:<\/strong> Oral Contribution<br \/>\n<strong>Authors:<\/strong> X. Lopez<br \/>\n<strong>Conference:<\/strong> From Bioinorganic Chemistry to Catalysis, Donostia International Physics Center Workshop<br \/>\n<strong>Title:<\/strong> How computational studies can help elucidating the bioinorganic chemistry of aluminium<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 6 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div>\n<div><strong>14.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> J. I. Mujika<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Simulations on Diverse Biological Systems<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>13.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Irene Casademont Reig<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Unvealing the aromaticity of a six-porphyrin nanoring<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>12.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Rafael Grande-Aztatzi, Elena Formoso, Jon I. Mujika, Jesus M. Ugalde, Xabier Lopez<br \/>\n<strong>Conference:<\/strong> 1st Internacional Vigo Meeting on Advanced Computacional Chemistry (1stIViMACC)<br \/>\n<strong>Title:<\/strong> Coordination of Al(III) to neurofilament fragments<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>11.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Via-Nadal, M., Garcia-Borr\u00e0s, M., Luis, J.M., Matito, E.<br \/>\n<strong>Conference:<\/strong> 1st International Vigo Meeting in Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<div><\/div>\n<div>\n<div><strong>10.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Jon Uranga<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong><br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>9.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Rodr\u00edguez-Mayorga M.<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Tackling strong non-dynamic correlation effects in Hubbard Model with PNOF7<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div>\n<div><strong>8.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> Matito E., Rodr\u00edguez-Mayorga M., Ramos-Cordoba E., Via-Nadal M., Salvador P.<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Separation of Dynamic and Nondynamic Correlation<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<\/div>\n<p>&nbsp;<\/p>\n<div><\/div>\n<div><strong>7.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> M. Piris<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Natural Orbital Functional Theory<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>6.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> J. Mitxelena., M. Piris<br \/>\n<strong>Conference:<\/strong> I International Vigo Meeting on Advanced Computational Chemistry (IViMACC)<br \/>\n<strong>Title:<\/strong> Analytic derivative methods for Natural Orbital Functional Theory<br \/>\n<strong>Place:<\/strong> Vigo (Spain)<br \/>\n<strong>Date:<\/strong> 1-2 June 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>5.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> S.J. Grabowski<br \/>\n<strong>Conference:<\/strong> Molecular Interactions in Chemistry and Biology<br \/>\n<strong>Title:<\/strong> s-hole bonds and hydrogen bonds are ruled by the same mechanisms<br \/>\n<strong>Place:<\/strong> Wroc\u0142aw (Poland)<br \/>\n<strong>Date:<\/strong> 29 May- 2 June, 2017<\/div>\n<div><\/div>\n<div>\n<div><strong>4.- Type of contribution:<\/strong> Oral Seminar<br \/>\n<strong>Authors:<\/strong> Salassa, L.<br \/>\n<strong>Title:<\/strong> Unconventional photoactivation strategies for anticancer metal-based prodrugs<br \/>\n<strong>Place:<\/strong> Institute of Inorganic Chemistry, University of Wien (Austria)<br \/>\n<strong>Date:<\/strong> 17 May 2017<\/div>\n<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div><strong>3.- Type of contribution:<\/strong> Oral Seminar<br \/>\n<strong>Authors:<\/strong> Salassa, L.<br \/>\n<strong>Title:<\/strong> Unconventional modes of photoactivation for anticancer metal-based prodrugs<br \/>\n<strong>Place:<\/strong> Centro de Investigaciones Cient\u00edficas Avanzadas, Universidad de Coru\u00f1a<br \/>\n<strong>Date:<\/strong> 2 May 2017<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div>\n<div><strong>2.- Type of contribution:<\/strong> Talk<br \/>\n<strong>Authors:<\/strong> Irene Casademont Reig<br \/>\n<strong>Conference:<\/strong> PhD student seminar series of CSIC-EHU\/UPV<br \/>\n<strong>Title:<\/strong> Computational assessment of the properties of a Cu-based family of photosensitizers<br \/>\n<strong>Place:<\/strong> Donostia<br \/>\n<strong>Date:<\/strong> 5 April 2017<\/div>\n<\/div>\n<div><\/div>\n<p>&nbsp;<\/p>\n<div>\n<div><strong>1.- Type of contribution:<\/strong> Invited Lecture<br \/>\n<strong>Authors:<\/strong> J. I. Mujika<br \/>\n<strong>Conference:<\/strong> Workshop Studi Computazionali in Chimica Bioinorganica<br \/>\n<strong>Title:<\/strong> Investigating the stability of mimosine-containing peptides by molecular dynamics simulations<br \/>\n<strong>Place:<\/strong> Cagliari (Italy)<br \/>\n<strong>Date:<\/strong> 3 April 2017<\/div>\n<\/div>\n<\/div>\n<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Authors: E. Formoso, J.I. Mujika, R. Grande-Aztatzi, X. Lopez Title: How Computational Studies Can Help Elucidating the Bioinorganic Chemistry of Aluminum Type of contribution: Invited Lecture Conference name: Workshop dedicated to the life-time achievements of Prof. Manuel Y\u00e1\u00f1ez Location\/Venue: Donostia, Spain \/ Donostia International Physics Center Start date: 26\/10\/2017 End date: 27\/10\/2017 Authors: O. Uranga, [&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":[78],"tags":[],"class_list":["post-11043","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\/11043","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=11043"}],"version-history":[{"count":17,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/11043\/revisions"}],"predecessor-version":[{"id":12947,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/11043\/revisions\/12947"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=11043"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=11043"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=11043"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}