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out url icon Recercat 1 juny 2018 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory
out url icon Recercat 5 juny 2018 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
out url icon Recercat 15 febrer 2020 Nuclear magnetic resonance chemical shifts with the statistical average of orbital-dependent model potentials in Kohn-Sham density functional theory Poater i Teixidor, Jordi ; Lenthe, Erik van‏ ; Baerends, Evert Jan
out url icon Recercat Response of the benthic macroinvertebrate community to a point source in La Tordera stream (Catalonia, NE Spain) Ortiz Durà, Jesús
doc icon DUGiDocs 30 juny 2005 Response of the benthic macroinvertebrate community to a point source in La Tordera stream (Catalonia, NE Spain) Ortiz Durà, Jesús
out url icon Recercat The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective Jenkins, Samantha ; Blancafort San José, Lluís ; Kirk, Steven R ; Bearpark, Michael J.
doc icon DUGiDocs 2014 The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective Jenkins, Samantha ; Blancafort San José, Lluís ; Kirk, Steven R ; Bearpark, Michael J.
doc icon DUGiDocs 2006 Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
out url icon Recercat Selected configuration interaction with truncation energy error and application to the Ne atom Bunge, Carlos F.
doc icon DUGiDocs 2008 Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
out url icon Recercat Simple finite field nuclear relaxation method for calculating vibrational contribution to degenerate four-wave mixing Kirtman, Bernard ; Luis Luis, Josep Maria
out url icon Recercat Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Poater i Teixidor, Jordi ; Swart, Marcel ; Fonseca Guerra, Célia ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2012 Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Poater i Teixidor, Jordi ; Swart, Marcel ; Fonseca Guerra, Célia ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 18 desembre 2017 Source and negative prefixes: On the syntax-lexicon interface and the encoding of spatial relations Gibert Sotelo, Elisabeth
out url icon Recercat Structural and Reactivity Models for Copper Oxygenases: Cooperative Effects and Novel Reactivities Serrano Plana, Joan ; Garcia Bosch, Isaac ; Company Casadevall, Anna ; Costas Salgueiro, Miquel
out url icon Recercat Structural and Reactivity Models for Copper Oxygenases: Cooperative Effects and Novel Reactivities Serrano Plana, Joan ; Garcia Bosch, Isaac ; Company Casadevall, Anna ; Costas Salgueiro, Miquel
out url icon Recercat Structural and Reactivity Models for Copper Oxygenases: Cooperative Effects and Novel Reactivities Serrano Plana, Joan ; Garcia Bosch, Isaac ; Company Casadevall, Anna ; Costas Salgueiro, Miquel
doc icon DUGiDocs 24 juliol 2015 Structural and Reactivity Models for Copper Oxygenases: Cooperative Effects and Novel Reactivities Serrano Plana, Joan ; Garcia Bosch, Isaac ; Company Casadevall, Anna ; Costas Salgueiro, Miquel
doc icon DUGiDocs 29 maig 2015 Structure and reactivity of endohedral (metallo)fullerenes Garcia Borràs, Marc
out url icon Recercat Structure and reactivity of endohedral (metallo)fullerenes Garcia Borràs, Marc
out url icon DUGiDocs 16 juliol 2024 Towards the conjugation of plant defence elicitor sequences, metal complexes, polyphenols and bicyclooctanes to biologically active peptides. Design, synthesis and structural elucidation Riesco-Llach, Gerard
out url icon Recercat A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
doc icon DUGiDocs 2012 A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
doc icon DUGiDocs 26 gener 2004 El virus de l’hepatitis C i la ribonucleasa Phumana: aspectes biològics i terapèutics Nadal i Matamala, Anna
out url icon Recercat El virus de l’hepatitis C i la ribonucleasa Phumana: aspectes biològics i terapèutics Nadal i Matamala, Anna
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