{"id":19282,"date":"2024-12-21T20:44:37","date_gmt":"2024-12-21T19:44:37","guid":{"rendered":"https:\/\/www.ehu.eus\/chemistry\/theory\/?p=19282"},"modified":"2026-01-26T18:25:00","modified_gmt":"2026-01-26T17:25:00","slug":"2025","status":"publish","type":"post","link":"https:\/\/www.ehu.eus\/chemistry\/theory\/3_publications\/2025\/","title":{"rendered":"2025 (35)"},"content":{"rendered":"<ul>\n<li>\nAuthors: Ylla M., Ramos-Cordoba E., <strong>Matito E.<\/strong><br \/>\nTitle: Correlation-driven spin-component-scaled second-order M\u00f8ller-Plesset perturbation theory (CD-SCS-MP2).<br \/>\nJournal: Rev. Soc. Cat. Quim.<br \/>\nVolumen: 24<br \/>\nPages: 51-64<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.2436\/20.2003.01.160\" target=\"_blank\" rel=\"noopener\">10.2436\/20.2003.01.160<\/a>\n<\/li>\n<li>\nAuthor: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Triel Bonds_Interactions without Borders, Similarly as Hydrogen Bonds<br \/>\nJournal: Cryst. Growth Des.<br \/>\nVolume: 25<br \/>\nPages: 4539-4552<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.cgd.5c00466\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.cgd.5c00466<\/a>\n<\/li>\n<li>\nAuthor: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: Molecular Hydrogen as a Proton Donor in H-H\u00b7\u00b7\u00b7F Hydrogen Bonds &#8211; BF4\u00b7\u00b7\u00b7(H2)n Clusters<br \/>\nJournal: ChemPhysChem<br \/>\nVolume: 26<br \/>\nPages: e202500243<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.202500243\" target=\"_blank\" rel=\"noopener\">10.1002\/cphc.202500243<\/a>\n<\/li>\n<li>\nAuthor: <strong>S.J. Grabowski<\/strong><br \/>\nTitle: A\u2212H&#8230;pi Hydrogen Bonds &#8211; Where Are Proton Acceptor Sites Located?<br \/>\nJournal: J. Chem. Phys. A<br \/>\nVolume: 129<br \/>\nPages: 11650-11661<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpca.5c07398\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpca.5c07398<\/a>\n<\/li>\n<li>\nAuthors: <strong>Janaarthana Babu P. M., D. Casanova<\/strong><br \/>\nTitle: Assessing Second-Order Perturbative Corrections to Restricted Active Space CI for Valence Excitations in Organic Molecules<br \/>\nJournal: J. Phys. Chem. A<br \/>\nVolume: 129<br \/>\nPages: 11736-11748<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpca.5c06818\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpca.5c06818<\/a>\n<\/li>\n<li>\nAuthors:  Andrea Berti, <strong>Ram\u00f3n M Bergua<\/strong>, <strong>Jose M Mercero<\/strong>, Deborah Perco, Paolo Lacovig, Silvano Lizzit, <strong>Elisa Jimenez-Izal<\/strong>, Alessandro Baraldi<br \/>\nTitle:  Ultra-Low Atomic Diffusion Barrier on Two-Dimensional Materials: The Case of Pt on Epitaxial Graphene<br \/>\nJournal: ACS Nano<br \/>\nVolume: 19<br \/>\nPages:  35921-35932<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acsnano.5c13305\" target=\"_blank\" rel=\"noopener\">10.1021\/acsnano.5c13305<\/a>\n<\/li>\n<li>\nAuthors:  Eline Desmedt, Katarzyna Zator, Tatiana Woller, <strong>Roberto A. Boto<\/strong>, Mercedes Alonso, Julia Contreras-Garc\u00eda<br \/>\nTitle: Energy and real space characteristics of non-covalent interactions across the periodic table<br \/>\nJournal:  J. Comput. Chem.<br \/>\nVolumen: 46<br \/>\nPages: e70268<br \/>\nYear:  2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.70268\" target=\"_blank\" rel=\"noopener\">10.1002\/jcc.70268<\/a>\n<\/li>\n<li>\nAuthors:  <strong>Alicia Omist, Roberto A. Boto<\/strong><br \/>\nTitle: Electronic spin relaxation in triangulene-based nanographenes<br \/>\nJournal:  Theor. Chem. Acc.<br \/>\nVolumen: 144<br \/>\nPages: 70<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-025-03223-3\" target=\"_blank\" rel=\"noopener\">10.1007\/s00214-025-03223-3<\/a>\n<\/li>\n<li>\nAuthors:  Lukas A. Jakob, Adri\u00e1n Juan-Delgado, Niclas S. Mueller, Shu Hu, Rakesh Arul, <strong>Roberto A. Boto<\/strong>, Ruben Esteban, Javier Aizpurua, Jeremy J. Baumberg<br \/>\nTitle: Optomechanical pumping of collective molecular vibrations in plasmonic nanocavities<br \/>\nJournal:  ACS Nano<br \/>\nVolumen: 19<br \/>\nPages: 10977-10988<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acsnano.4c16535\" target=\"_blank\" rel=\"noopener\">10.1021\/acsnano.4c16535<\/a>\n<\/li>\n<li>\nAuthors: <strong>J. Zubeltzu<\/strong>, F. Bresme, M. Dawber, M. Fernandez-Serra, E. Artacho<br \/>\nTitle: Redefining the dielectric response of nanoconfined liquids: Insights from water<br \/>\nJournal: Phys. Rev. Research<br \/>\nVolume: 7<br \/>\nPages: 043101<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1103\/qp52-s5d5\" target=\"_blank\" rel=\"noopener\">10.1103\/qp52-s5d5<\/a>\n<\/li>\n<li>\nAuthors: <strong>A. Paulau, L. Soriano-Agueda, E. Matito<\/strong><br \/>\nTitle: Correlation-driven spin-component-scaled second-order M\u00f8ller-Plesset perturbation theory (CD-SCS-MP2).<br \/>\nJournal: J. Chem. Theory Comput.<br \/>\nVolumen: 21<br \/>\nPages: 9601-9611<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jctc.5c01167\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jctc.5c01167<\/a>\n<\/li>\n<li>\nAuthors: Marta Costa Verdugo,  Giulia Sierri, Laura Hernandez-Fernandez, <strong>Elena Formoso<\/strong>, Jos\u00e9 I. Miranda, Francesco Saverio Sica, Alejandro Herrera Orrego, Alba Gonz\u00e1lez, <strong>Elixabete Rezabal<\/strong>, Francesca Re, <strong>Luca Salassa<\/strong><br \/>\nTitle: Choline-Geranate (CAGE) Ionic Liquids Potentiate The Anticancer Activity Of Platinum-Based Drugs<br \/>\nJournal: ChemComm<br \/>\nVolume: 61<br \/>\nPages: 12167-12170<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D5CC02226F\" target=\"_blank\" rel=\"noopener\">10.1039\/D5CC02226F<\/a>\n<\/li>\n<li>\nAuthors: <strong>N. Vaquero-Sabater, A. Carreras, D. Casanova<\/strong><br \/>\nTitle: Pruned-ADAPT-VQE: Compacting Molecular Ans\u00e4tze by Removing Irrelevant Operators<br \/>\nJournal: J. Chem. Theory Comput.<br \/>\nVolume: 21<br \/>\nPages:  8720-8728<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jctc.5c00535\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jctc.5c00535<\/a>\n<\/li>\n<li>\nAuthors: <strong>I. Casademont-Reig<\/strong>, R. Monreal-Corona, E. Desmedt, F. De Vleeschouwer, M. Alonso<br \/>\nTitle: Pursuit of singlet fission fulvene candidates using inverse design<br \/>\nJournal: Digital Discovery<br \/>\nVolume: 4<br \/>\nPages: 2156-2174<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D4DD00389F\" target=\"_blank\" rel=\"noopener\">10.1039\/D4DD00389F<\/a>\n<\/li>\n<li>\nAuthors: Z. Xu,  <strong>J. Owona<\/strong>,  Q. T. Liu,  S. Putwa,  L. Jiang,  K-M. Tong,  D. Hean,  B. O. Patrick,  K. C. Chou,  <strong>C. Tonnel\u00e9<\/strong>,  F. Castet,  <strong>D. Casanova<\/strong>,  M. O. Wolf<br \/>\nTitle: A New Class of Diarylethene Compounds that Exhibit Turn-On Emission: From Aggregation-Induced Emission to Anti-Kasha Emission<br \/>\nJournal: Adv. Opt. Mater.<br \/>\nVolume: 13<br \/>\nPages: 00422<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/adom.202500422\" target=\"_blank\" rel=\"noopener\">10.1002\/adom.202500422<\/a>\n<\/li>\n<li>\nAuthors: Y. Wu, B. Wang, <strong>D. Casanova<\/strong>,  O. V. Prezhdo<br \/>\nTitle: Atomistic Mechanism of Perovskite Grain Boundary Healing by Halide Doping: Machine Learning and Ab Initio Analyses<br \/>\nJournal: Chem. Mater.<br \/>\nVolume: 14<br \/>\nPages:  5387-5395<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.chemmater.5c01353\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.chemmater.5c01353<\/a>\n<\/li>\n<li>\nAuthors: <strong>J. F. H. Lew-Yee, M. Piris<\/strong><br \/>\nTitle: Metal-Insulator Transition described by Natural Orbital Functional Theory<br \/>\nJournal: Revista Cubana de F\u00edsica<br \/>\nVolume: 42<br \/>\nPages: 30-36<br \/>\nYear: 2025<br \/>\nURL: <a href=\"https:\/\/www.revistacubanadefisica.org\/index.php\/rcf\/article\/view\/53\" target=\"_blank\" rel=\"noopener\">https:\/\/www.revistacubanadefisica.org\/index.php\/rcf\/article\/view\/53<\/a>\n<\/li>\n<li>\nAuthors: <strong>A. Cebreiro-Gallardo, D. Casanova<\/strong><br \/>\nTitle: State-Interaction Approach for g-Matrix Calculations in TDDFT: Ground-Excited State Couplings and beyond First-Order Spin\u2013Orbit Effects<br \/>\nJournal: J. Chem. Theory Comput.<br \/>\nVolume: 21<br \/>\nPages:  6528-6544<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jctc.5c00514\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jctc.5c00514<\/a>\n<\/li>\n<li>\nAuthors: E. Boutou, <strong>J. F. H. Lew-Yee, J. M. Mercero, M. Piris<\/strong>,<br \/>\nTitle: Enhancing the Computational Efficiency of the DoNOF Program through a New Orbital Sorting Scheme<br \/>\nJournal: Adv. Quantum Chem.<br \/>\nVolumen: 91<br \/>\nPages: 169-189<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/bs.aiq.2025.03.001\" target=\"_blank\" rel=\"noopener\">10.1016\/bs.aiq.2025.03.001<\/a>\n<\/li>\n<li>\nAuthors: J. Xu, S. Yao, V. Postils, <strong>E. Matito<\/strong>, C. Lorent, M. Driess<br \/>\nTitle: Isolable Mono-Valent Bismuth Complexes with a Redox Non-Innocent Bis(silylenyl)carborane Ligand<br \/>\nJournal: Chem. Sci.<br \/>\nVolumen: 16<br \/>\nPages: 10826-10832<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D5SC02644J\" target=\"_blank\" rel=\"noopener\">10.1039\/D5SC02644J<\/a>\n<\/li>\n<li>\nAuthors: <strong>G. Ricci, C. Tonnel\u00e9, D. Casanova<\/strong><br \/>\nTitle: Optical Addressability of the Arylnitrene Spin Triplet<br \/>\nJournal: J. Phys. Chem. Lett.<br \/>\nVolume: 16<br \/>\nPages: 5659-5665<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpclett.5c01024\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpclett.5c01024<\/a>\n<\/li>\n<li>\nAuthors: Y. Yu, <strong>A. Izu<\/strong>, J. M. Mar\u00edn, S Rana, Kunal S. Mali, S. De Feyter, <strong>D. Casanova<\/strong>, J. Casado,  J. Liu<br \/>\nTitle: Piercing Molecular Graphenes: Precision Synthesis and Photophysics of NBN-Edged Porous Molecular Carbons<br \/>\nJournal: J. Am. Chem. Soc.<br \/>\nVolume: 147<br \/>\nPages:  20098-20108<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/jacs.5c06175\" target=\"_blank\" rel=\"noopener\">10.1021\/jacs.5c06175<\/a>\n<\/li>\n<li>\nAuthors: R. Grande\u2010Aztazi, <strong>E. Matito, J. M. Ugalde, J. M. Mercero<\/strong><br \/>\nTitle: The Aromaticity of Osmapentalenes Derivatives \u2013 An Analysis Based on Electron\u2010Delocalization Indices<br \/>\nJournal:  ChemPhysChem<br \/>\nVolume: 26<br \/>\nPages: e202400713<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/cphc.202400713\" target=\"_blank\" rel=\"noopener\">10.1002\/cphc.202400713<\/a>\n<\/li>\n<li>\nAuthors: <strong>J. F. H. Lew-Yee<\/strong>, J. M. del Campo, <strong>M. Piris<\/strong><br \/>\nTitle: Advancing Natural Orbital Functional Calculations Through Deep Learning-Inspired Techniques for Large-Scale Strongly Correlated Electron Systems<br \/>\nJournal: Phys. Rev. Lett.<br \/>\nVolume: 134<br \/>\nPages: 206401<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1103\/PhysRevLett.134.206401\" target=\"_blank\" rel=\"noopener\">10.1103\/PhysRevLett.134.206401<\/a>\n<\/li>\n<li>\nAuthors: A. Dellai, L. Muccioli, F. Castet, <strong>C. Tonnel\u00e9<\/strong><br \/>\nTitle: Second Harmonic Response of Azobenzene Self-Assembled Monolayers: the Effect of Push\/Pull Substitution<br \/>\nJournal: J. Phys. Chem. C<br \/>\nVolume: 129<br \/>\nPages: 8417\u20138428<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jpcc.5c01204\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jpcc.5c01204<\/a>\n<\/li>\n<li>\nAuthors: A. I. Aranburu, M. Elorza, P. R. G. Valle, A. Pazos, A. Brodolin, P. Herrero-G\u00f3mez, J. E. Barcelon, G. Molina-Terriza, F. Monrabal, C. Rogero, F. P. Coss\u00edo, J. J. G\u00f3mez-Cadenas, <strong>C. Tonnel\u00e9<\/strong>, Z. Freixa, and the NEXT Collaboration<br \/>\nTitle: Iridium-Based Time-Resolved Luminescent Sensor for Ba2+ Detection<br \/>\nJournal: ACS Sensors<br \/>\nVolume: 10<br \/>\nPages: 2487-2498<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acssensors.4c01892\" target=\"_blank\" rel=\"noopener\">10.1021\/acssensors.4c01892<\/a>\n<\/li>\n<li>\nAuthors: <strong>A. Cebreiro-Gallardo, D. Casanova<\/strong><br \/>\nTitle: Efficient state-interaction approach for the g-matrix analysis in high-spin molecules<br \/>\nJournal: Phys. Chem. Chem. Phys.<br \/>\nVolume: 27<br \/>\nPages: 7093-7103<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D4CP04511D\" target=\"_blank\" rel=\"noopener\">10.1039\/D4CP04511D<\/a>\n<\/li>\n<li>\nAuthors: L. Maierhofer, R. Prieto-Montero, T. Cubiella, <strong>A. D\u00edaz-Andr\u00e9s<\/strong>, N. Morales-Ben\u00edtez, <strong>D. Casanova<\/strong>, V. Mart\u00ednez-Mart\u00ednez, M.-D. Chiara, E. Mann, J. L. Chiara<br \/>\nTitle: A carnitine-based BODIPY photosensitizer<br \/>\nJournal: J. Mater. Chem. B<br \/>\nVolume: 13<br \/>\nPages: 4330-4340<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D4TB02782E\" target=\"_blank\" rel=\"noopener\">10.1039\/D4TB02782E<\/a>\n<\/li>\n<li>\nAuthors: <strong>X. Xu, L. Soriano-Agueda, X. L\u00f3pez<\/strong>, E. Ramos-Cordoba, <strong>E. Matito<\/strong><br \/>\nTitle: How Many Distinct and Reliable Multireference Diagnostics Are There?<br \/>\nJournal: J. Chem. Phys.<br \/>\nVolumen: 162<br \/>\nPages: 124102<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1063\/5.0250636\" target=\"_blank\" rel=\"noopener\">10.1063\/5.0250636<\/a>\n<\/li>\n<li>\nAuthors: <strong>J. F. H. Lew Yee, M. Piris<\/strong><br \/>\nTitle: Efficient Energy Measurement of Chemical Systems via One-Particle Reduced Density Matrix: A NOF-VQE Approach for Optimized Sampling.<br \/>\nJournal: J. Chem. Theory Comput.<br \/>\nVolume: 21<br \/>\nPages: 2402\u20132413<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jctc.4c01734\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jctc.4c01734<\/a>\n<\/li>\n<li>\nAuthors: K. Lam, R. J. Dillon, A. Carreras, T. Nishiuchi, T. Kubo, R. O. Al-Kaysi, <strong>D. Casanova<\/strong>, C. J. Bardeen<br \/>\nTitle: Using an aromatic linker to optimize charge-resonance states, photodimerization and reversibility in covalent anthracene dimers<br \/>\nJournal: Phys. Chem. Chem. Phys.<br \/>\nVolume: 27<br \/>\nPages: 5305-5316<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D4CP04022H\" target=\"_blank\" rel=\"noopener\">10.1039\/D4CP04022H<\/a>\n<\/li>\n<li>\nAuthors: <strong>A. Omist, A. Cebreiro-Gallardo<\/strong>, M. Hugget, <strong>R. A. Boto, D. Casanova<\/strong><br \/>\nTitle: Magnetic Properties, Spin-Vibration Couplings, and Temperature Effects in Phenalenyl and Triangulene<br \/>\nJournal: J. Chem. Theory Comput.<br \/>\nVolume: 21<br \/>\nPages: 1153-1162<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1021\/acs.jctc.4c01255\" target=\"_blank\" rel=\"noopener\">10.1021\/acs.jctc.4c01255<\/a>\n<\/li>\n<li>\nAuthors: A. C\u00e1rdenas, F. Lirette, J. M. Mar\u00edn-Beloqui, A. Carreras, <strong>D. Casanova<\/strong>, J. Boismenu-Lavoie, J-F. Morin, J. Casado<br \/>\nTitle: Folded\u2013twisted mechanisms control dynamic redox properties, photophysics and electron transfer of anthanthrene-quinodimethanes<br \/>\nJournal: Chem. Sci.<br \/>\nVolume: 16<br \/>\nPages: 1925-1931<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1039\/D4SC06442A\" target=\"_blank\" rel=\"noopener\">10.1039\/D4SC06442A<\/a>\n<\/li>\n<li>\nAuthors: M. Privado,  S. Moles Quintero,  M. Barrej\u00f3n,  P. de La Cruz, <strong> Janaarthana Babu P. M.,  D. Casanova<\/strong>,  F. Langa,  J. Casado<br \/>\nTitle: Dibenzoquinone Cyclopentadithiophene Diradicaloids Show Optical Transitions of Different Spin States and Anomalous Near-Infrared Emission<br \/>\nJournal: Angew. Chem. Int. Ed.<br \/>\nVolume: 64<br \/>\nPages: e202413988<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1002\/anie.202413988\" target=\"_blank\" rel=\"noopener\">10.1002\/anie.202413988<\/a><\/li>\n<li>\nAuthors: <strong>D. Silva-Brea, J. Aduriz-Arrizabalaga, D. De Sancho, X. Lopez<\/strong><br \/>\nTitle: Designing mimosine-containing peptides as efficient metal chelators: Insights from molecular dynamics and quantum calculations<br \/>\nJournal: Journal of Inorganic Biochemistry<br \/>\nVolume: 264<br \/>\nPages: 112807<br \/>\nYear: 2025<br \/>\nDOI: <a href=\"http:\/\/dx.doi.org\/10.1016\/j.jinorgbio.2024.112807\" target=\"_blank\" rel=\"noopener\">10.1016\/j.jinorgbio.2024.112807<\/a><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Authors: Ylla M., Ramos-Cordoba E., Matito E. Title: Correlation-driven spin-component-scaled second-order M\u00f8ller-Plesset perturbation theory (CD-SCS-MP2). Journal: Rev. Soc. Cat. Quim. Volumen: 24 Pages: 51-64 Year: 2025 DOI: 10.2436\/20.2003.01.160 Author: S.J. Grabowski Title: Triel Bonds_Interactions without Borders, Similarly as Hydrogen Bonds Journal: Cryst. Growth Des. Volume: 25 Pages: 4539-4552 Year: 2025 DOI: 10.1021\/acs.cgd.5c00466 Author: S.J. Grabowski [&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":[68,166],"tags":[],"class_list":["post-19282","post","type-post","status-publish","format-standard","hentry","category-3_publications","category-1_articles"],"blocksy_meta":[],"acf":[],"_links":{"self":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/19282","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=19282"}],"version-history":[{"count":71,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/19282\/revisions"}],"predecessor-version":[{"id":20700,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/posts\/19282\/revisions\/20700"}],"wp:attachment":[{"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/media?parent=19282"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/categories?post=19282"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.ehu.eus\/chemistry\/theory\/wp-json\/wp\/v2\/tags?post=19282"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}