{"id":12020,"date":"2018-01-01T00:26:56","date_gmt":"2017-12-31T22:26:56","guid":{"rendered":"http:\/\/www.ehu.eus\/chemistry\/theory\/?p=12020"},"modified":"2022-11-19T12:56:45","modified_gmt":"2022-11-19T11:56:45","slug":"2018-2","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/5_kt-seminars\/2018-2\/","title":{"rendered":"2018 (Total=47)"},"content":{"rendered":"<ul>\n<li>\nAuthors: M. Piris<br \/>\nTitle: Global Method for Electron Correlation based on NOF theory<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: n\/a<br \/>\nLocation\/Venue: Universidade Federal de Juiz de Fora, Brasil \/ Departamento de F\u00edsica<br \/>\nStart date: 11\/12\/18<br \/>\nEnd date: 11\/12\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Olatz Uranga-Barandiaran, Fr\u00e9d\u00e9ric Castet and David Casanova<br \/>\nTitle: Photophysical Properties of Molecular Aggregates, MT180<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Euskampus Bordeaux Eguna<br \/>\nLocation\/Venue: Donostia, Spain<br \/>\nStart date: 30\/11\/2018<br \/>\nEnd date: 30\/11\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Piris<br \/>\nTitle: Natural Orbital Functional Theory<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: n\/a<br \/>\nLocation\/Venue: Laboratoire de Chimie Quantique, Universit\u00e9 de Strasbourg, France \/ Salle du Conseil<br \/>\nStart date: 29\/11\/18<br \/>\nEnd date: 29\/11\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Olatz Uranga-Barandiaran, Manon Catherin, Elena Zaborova, Anthony D\u2019Al\u00e9o, Fr\u00e9d\u00e9ric Fages, Fr\u00e9d\u00e9ric Castet and David Casanova<br \/>\nTitle: Optical properties of quadrupolar and bi-quadrupolar dyes<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Second Transborder QuantumChemPhys Lab Meeting<br \/>\nLocation\/Venue: Baiona, France\/ Hotel Le Bayonne<br \/>\nStart date: 05\/11\/2018<br \/>\nEnd date: 06\/11\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Ver\u00f2nica Postils, Eloy Ramos-C\u00f3rdoba, Pedro Salvador<br \/>\nTitle: Oxidation States from Wavefunction Analyses: the EOS Formalism<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Second Transborder QuantumChemPhys Lab Meeting<br \/>\nLocation\/Venue: Baiona, France \/ Hotel Le Bayonne<br \/>\nStart date: 05\/11\/18<br \/>\nEnd date: 06\/11\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Elisa Jimenez-Izal, Anastassia N. Alexandrova<br \/>\nTitle: Nanoalloying MgO-Deposited Pt Clusters with Si for Controlling the<br \/>\nSelectivity of Alkane Dehydrogenation<br \/>\nType of contribution: Invited talk<br \/>\nConference name: Second Transborder QuantumChemPhys Lab Meeting<br \/>\nLocation\/Venue: Baiona, France \/ Hotel Le Bayonne<br \/>\nStart date: 05\/11\/2018<br \/>\nEnd date: 06\/11\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Mar\u00eda Eugenia Sandoval-Salinas and David Casanova<br \/>\nTitle: Singlet Fission in Homo-conjugated Dimers<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Second Transborder QuantumChemPhys Lab Meeting<br \/>\nLocation\/Venue: Baiona, France \/ Hotel Le Bayonne<br \/>\nStart date: 05\/11\/18<br \/>\nEnd date: 06\/11\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Via-Nadal, M. Rodr\u00edguez-Mayorga, E. Ramos-Cordoba and E. Matito<br \/>\nTitle: A Novel Signature of Dispersion Interactions: Intracule functions.<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Second Transborder QuantumChemPhys Lab Meeting<br \/>\nLocation\/Venue: Baiona, France \/ Hotel Le Bayonne<br \/>\nStart date: 05\/11\/18<br \/>\nEnd date: 06\/11\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Piris<br \/>\nTitle: Recent Advances in Natural Orbital Functional Theory<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 23rd International Workshop on Quantum Systems in Chemistry, Physics and Biology (QSCP XXIII)<br \/>\nLocation\/Venue: Kruger National Park, South Africa \/ Mopani Camp Conference Center<br \/>\nStart date: 23\/09\/18<br \/>\nEnd date: 29\/09\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors:&nbsp;S. J. Grabowski<br \/>\nTitle: Theoretical analysis of properties of doping graphene with nitrogen and with boron<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 13th International Conference on Solid State Chemistry<br \/>\nLocation\/Venue: Pardubice, Czech Republic \/ University of Pardubice<br \/>\nStart date: 16\/09\/2018<br \/>\nEnd date: 21\/09\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Ver\u00f2nica Postils, Eloy Ramos-C\u00f3rdoba, Josep M. Luis, Pedro Salvador<br \/>\nTitle: Overcoming IUPAC&#8217;s Approach to Assign Oxidation States by the EOS Formalism<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Second European Simposium on Chemical Bonding (ESCB2)<br \/>\nLocation\/Venue: Oviedo, Spain \/ Palace of Exhibitions and Congresses (PEC)<br \/>\nStart date: 03\/09\/18<br \/>\nEnd date: 07\/09\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Via-Nadal, M. Garcia-Borr\u00e0s, J. M. Luis and E. Matito<br \/>\nTitle: Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Second European Symposium on Chemical Bonding (ESCB2)<br \/>\nLocation\/Venue: Oviedo, Spain \/ Palace of Exhibitions and Congresses (PEC)<br \/>\nStart date: 03\/09\/18<br \/>\nEnd date: 07\/09\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: I. Casademont-Reig, E. Ramos-Cordoba, M. Torrent-Sucarrat, and E. Matito.<br \/>\nTitle: New Tool to Unveil Nanoring\u2019s Aromaticity<br \/>\nType of contribution: Poster<br \/>\nConference name: Second European Symposium on Chemical Bonding (ESCB2).<br \/>\nLocation\/Venue: Oviedo, Spain \/ Palace of Exhibitions and Congresses (PEC)<br \/>\nStart date: 03\/09\/18<br \/>\nEnd date: 07\/09\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Mar\u00eda Eugenia Sandoval-Salinas and David Casanova<br \/>\nTitle: Intermolecular Singlet Fission in Homo-Conjugated Dimers<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Second European Symposium on Chemical Bonding (ESCB2)<br \/>\nLocation\/Venue: Oviedo, Spain \/ Palace of Exhibitions and Congresses (PEC)<br \/>\nStart date: 03\/09\/18<br \/>\nEnd date: 07\/09\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: E. Rezabal<br \/>\nTitle: Ionic liquids for biomass treatment: a computational approach<br \/>\nType of contribution: Invited talk<br \/>\nConference name: Energy Materials and Nanotechnology (EMN Lyon Meeting 2018)<br \/>\nLocation\/Venue: Lyon, France<br \/>\nStart date: 06\/08\/18<br \/>\nEnd date:10\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Jesus M. Ugalde<br \/>\nTitle: Natural orbital functional theory of the molecular electronic structure<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: Molecular Electronic Structure<br \/>\nLocation\/Venue: Metz, France \/ Universit\u00e9 de Lorraine<br \/>\nStart date: 28\/08\/18<br \/>\nEnd date: 31\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Jesus M. Ugalde<br \/>\nTitle: Activating methane by ligated transition metal compounds. A mechanistic study of the gas-phase thermal activation of methane by the nickel hydride hydroxycation.<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: n\/a<br \/>\nLocation\/Venue: Beijing, China \/ Tsinghua University<br \/>\nStart date: 26\/08\/18<br \/>\nEnd date: 26\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Jesus M. Ugalde<br \/>\nTitle: Exact Exchange-Correlation Functional for the Infinitely Stretched Hydrogen Molecule<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: n\/a<br \/>\nLocation\/Venue: Beijing, China \/ Tsinghua University<br \/>\nStart date: 25\/08\/18<br \/>\nEnd date: 25\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Jesus M. Ugalde<br \/>\nTitle: Benefits from Electronic Structure Computing. A Case Study: Modeling of Electron Transfer triggered by Quantum Dot Photoactivation<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: n\/a<br \/>\nLocation\/Venue: Nanjing, China \/ Nanjing Technical University<br \/>\nStart date: 23\/08\/18<br \/>\nEnd date: 23\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Jesus M. Ugalde<br \/>\nTitle: Activating methane by ligated transition metal compounds. A mechanistic study of the gas-phase thermal activation of methane by the nickel hydride hydroxycation<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: n\/a<br \/>\nLocation\/Venue: Suzhou, China \/ Soochow University<br \/>\nStart date: 21\/08\/18<br \/>\nEnd date: 21\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Jesus M. Ugalde<br \/>\nTitle: Structure, stability and optical properties of bimetallic subnanoclusters<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 2nd International Symposium of new molecules and clusters<br \/>\nLocation\/Venue: Shanghai, China \/ FUDAN University<br \/>\nStart date: 18\/08\/18<br \/>\nEnd date: 20\/08\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: J. I. Mujika<br \/>\nTitle: Hydrolysis Reaction on Metal Bound ATP: Effect of the Metal on the Reaction<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA)<br \/>\nLocation\/Venue: Toledo, Spain\/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/2018<br \/>\nEnd date: 19\/07\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Olatz Uranga-Barandiaran, Manon Catherin, Elena Zaborova, Anthony D\u2019Al\u00e9o, Fr\u00e9d\u00e9ric Fages, Fr\u00e9d\u00e9ric Castet and David Casanova<br \/>\nTitle: Optical properties of quadrupolar and bi-quadrupolar dyes<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA)<br \/>\nLocation\/Venue: Toledo, Spain\/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/2018<br \/>\nEnd date: 19\/07\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Jesus M. Ugalde<br \/>\nTitle: Activating Methane with Ligated transition metal complexes<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: I. Casademont-Reig, E. Ramos-Cordoba, M. Torrent-Sucarrat, and E. Matito.<br \/>\nTitle: The challenge to describe six-porphyrin nanoring\u2019s aromaticity<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure: Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Campus Tecnol\u00f3gico F\u00e1brica de Armas Avda. Carlos III, 21 45071- Toledo.<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: E. Formoso<br \/>\nTitle: A Computational Approach to the Structural Toxicity of Aluminum with Biomolecules<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 11th Congress on Electronic Structure: Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Mar\u00eda Eugenia Sandoval-Salinas and David Casanova<br \/>\nTitle: Tuning the radical character of small graphene fragments<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: E. Rezabal<br \/>\nTitle: Biomass treatment by ionic liquids<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date:19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Rafael Grande-Aztatzi, Gernot Frenking and Jesus M. Ugalde<br \/>\nTitle: Copper mediated electron delocalization in the Cu(x)(CH)n (x= 0, I, II; n= 3, 4, 5, 6) metallacycles<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Piris<br \/>\nTitle: Global method for electron correlation based on the NOF theory<br \/>\nType of contribution:  Invited Talk<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Via-Nadal, M. Rodr\u00edguez-Mayorga, E. Ramos-Cordoba, E. Matito.<br \/>\nTitle: Splitting the Coulomb Hole into its Dynamic and Nondynamic Contributions<br \/>\nType of contribution: Poster<br \/>\nConference name: 11th Congress on Electronic Structure Principles and Applications (ESPA 2018)<br \/>\nLocation\/Venue: Toledo, Spain \/ Universidad de Castilla y la Mancha<br \/>\nStart date: 17\/07\/18<br \/>\nEnd date: 19\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Ion Mitxelena and Mario Piris<br \/>\nTitle: Natural Orbital Functional Theory<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: LQCT Seminar<br \/>\nLocation\/Venue: La Habana, Cuba \/ FQ, Universidad de la Habana<br \/>\nStart date: 12\/07\/18<br \/>\nEnd date: 12\/07\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Olatz Uranga-Barandiaran, Manon Catherin, Elena Zaborova, Anthony D\u2019Al\u00e9o, Fr\u00e9d\u00e9ric Fages, Fr\u00e9d\u00e9ric Castet and David Casanova<br \/>\nTitle: Aggregates of Curcuminoid BF2-Dyes<br \/>\nType of contribution: Poster<br \/>\nConference name: 21\u00e8me Journ\u00e9e de l\u2019\u00e9cole doctorale des Sciences Chimiques de l\u2019Universit\u00e9 de Bordeaux<br \/>\nLocation\/Venue: Bordeaux, France<br \/>\nStart date: 07\/06\/2018<br \/>\nEnd date:  07\/06\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Elisa Jimenez-Izal, Anastassia N. Alexandrova<br \/>\nTitle: Theoretical prediction of novel 2D materials with unique electronic properties<br \/>\nType of contribution: Poster<br \/>\nConference name: Novel 2D Materials Explored via Scanning Probe Microscopy &amp; Spectroscopy<br \/>\nLocation\/Venue: Donostia<br \/>\nStart date: 25\/06\/2018<br \/>\nEnd date: 29\/06\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Elisa Jimenez-Izal, Anastassia N. Alexandrova<br \/>\nTitle: Improving the durability of Pt nanocatalysts for alkane dehydrogenation<br \/>\nType of contribution: Poster<br \/>\nConference name: 16th International Congress of Quantum Chemistry<br \/>\nLocation\/Venue: Menton, France<br \/>\nStart date: 18\/06\/2018<br \/>\nEnd date: 23\/06\/2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: I. Mitxelena, M. Rodr\u00edguez-Mayorga, M. Piris.<br \/>\nTitle: On the performance of natural orbital functional theory on strongly correlated systems.<br \/>\nType of contribution: Poster<br \/>\nConference name: 16th ICQC Satellite Meeting on Strong Correlation in Electronic Structure Theory<br \/>\nLocation\/Venue: Strasbourg, France \/ National University Library<br \/>\nStart date: 24\/06\/18<br \/>\nEnd date: 27\/06\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: M. Via-Nadal, M. Rodr\u00edguez-Mayorga, E. Ramos-Cordoba, E. Matito.<br \/>\nTitle: Separation of the Coulomb Hole into Weak and Strong Correlation Contributions.<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: 16th ICQC Satellite Meeting on Strong Correlation in Electronic Structure Theory<br \/>\nLocation\/Venue: Strasbourg, France \/ National University Library<br \/>\nStart date: 24\/06\/18<br \/>\nEnd date: 27\/06\/18<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors:&nbsp;S. J. Grabowski<br \/>\nTitle: Beryllium and magnesium bonds reveal similar properties as hydrogen bond<br \/>\nType of contribution:&nbsp;Plenary Lecture<br \/>\nConference name: From calculations to experiment in chemistry and biology \u2013 Central European School of Physical Organic Chemistry<br \/>\nLocation\/Venue: University of Wroclaw\/ Karpacz, Poland<br \/>\nStart date: 04.06.2018<br \/>\nEnd date: 08.06.2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors:&nbsp;S. J. Grabowski<br \/>\nType of contribution:&nbsp;Chairman of the session<br \/>\nConference name: From calculations to experiment in chemistry and biology \u2013 Central European School of Physical Organic Chemistry<br \/>\nLocation\/Venue: University of Wroclaw\/ Karpacz, Poland<br \/>\nStart date: 04.06.2018<br \/>\nEnd date: 08.06.2018<\/li>\n<\/ul>\n<ul>\n<li>\nAuthors: Mar\u00eda Eugenia Sandoval-Salinas and David Casanova<br \/>\nTitle: Singlet fission in homo-conjugated dimers<br \/>\nType of contribution: Poster<br \/>\nConference name: 2nd International Symposium on Singlet Fission and Photon Fusion: Emerging Solar Technologies (ISPF2)<br \/>\nLocation\/Venue: Gothenburg, Sweden \/ Chalmers Conference Center<br \/>\nStart date: 16\/04\/18<br \/>\nEnd date: 19\/04\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: I. Casademont-Reig, T. Woller, J. Contreras-Garc\u00eda, E. Ramos-Cordoba, M. Alonso, M. Torrent-Sucarrat, E. Matito<br \/>\nTitle: New tool to explore electron conjugation in porphyrinoids<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: 9th European Symposium on Computing p-Conjugated Compounds (CpiC 2018)<br \/>\nLocation\/Venue: Naples, Italy \/ Centro Congressi Federico II<br \/>\nStart date: 18\/01\/18<br \/>\nEnd date: 19\/01\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: I. Casademont-Reig, E. Ramos-Cordoba, M. Torrent-Sucarrat, and E. Matito<br \/>\nTitle: Disclosing Six-porphyrin Nanoring&#8217;s Aromaticity<br \/>\nType of contribution: Oral Communication<br \/>\nConference name: Young Researchers Symposium. Girona Seminar 2018<br \/>\nLocation\/Venue: Girona \/ The Auditori of Centre Cultural La Merc\u00e8<br \/>\nStart date: 03\/04\/18<br \/>\nEnd date: 03\/04\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: I. Casademont-Reig, C. Casadevall, A. Call, J. Lloret, E. Ramos-Cordoba, E. Matito<br \/>\nTitle: Computational Modeling of Versatile Photosensitizers<br \/>\nType of contribution: Poster<br \/>\nConference name: Girona Seminar 2018. Predictive Catalysis Transition-Metal Reactivity by Design<br \/>\nLocation\/Venue: Girona \/ The Auditori of Centre Cultural La Merc\u00e8<br \/>\nStart date: 03\/04\/18<br \/>\nEnd date: 06\/04\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Mario Piris<br \/>\nTitle: NOF-MP2: Global method for electron correlation<br \/>\nType of contribution: Invited Talk<br \/>\nConference name: 255th American Chemical Society National Meeting<br \/>\nLocation\/Venue: New Orleans, LA, USA \/ New Orleans Marriott Convention Center<br \/>\nStart date: 18\/03\/18<br \/>\nEnd date: 22\/03\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: M. Via-Nadal, M. Garcia-Borr\u00e0s, J.M. Luis, E. Matito.<br \/>\nTitle: Reactivity Indices for Diels-Alder Regioselectivity Prediction in Fullerenes<br \/>\nType of contribution: Poster<br \/>\nConference name: Girona Seminar 2018: Predictive Catalysis. Transition-Metal Reactivity by Design<br \/>\nLocation\/Venue: Girona, Spain \/ The Auditori of Centre Cultural La Merc\u00e8<br \/>\nStart date: 03\/04\/18<br \/>\nEnd date: 06\/04\/18<\/li>\n<\/ul>\n<ul>\n<li>Authors: Maria Eugenia Sandoval-Salinas, David Casanova<br \/>\nTitle: Unveiling the Origin of Organic Polyradical Materials: Theoretical Study<br \/>\nType of contribution: Oral communication<br \/>\nConference name: XVII Escuela Nacional de Materiales Moleculares \/ XVII National School in Molecular Materials<br \/>\nLocation\/Venue: Torremolinos, Spain<br \/>\nStart date: 11\/02\/18<br \/>\nEnd date: 15\/02\/18<\/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: Oral Communication<br \/>\nConference name: 9th European Symposium on Computing p-Conjugated Compounds (CpiC)<br \/>\nLocation\/Venue: Naples, Italy \/ Centro Congressi Federico II<br \/>\nStart date: 18\/01\/18<br \/>\nEnd date: 19\/01\/18<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"<p>Authors: M. Piris Title: Global Method for Electron Correlation based on NOF theory Type of contribution: Invited Talk Conference name: n\/a Location\/Venue: Universidade Federal de Juiz de Fora, Brasil \/ Departamento de F\u00edsica Start date: 11\/12\/18 End date: 11\/12\/18 Authors: Olatz Uranga-Barandiaran, Fr\u00e9d\u00e9ric Castet and David Casanova Title: Photophysical Properties of Molecular Aggregates, MT180 Type [&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-12020","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\/12020","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=12020"}],"version-history":[{"count":83,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/12020\/revisions"}],"predecessor-version":[{"id":16397,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/12020\/revisions\/16397"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=12020"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=12020"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=12020"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}