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84 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
out url icon Recercat 2018 June 5 Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
doc icon DUGiDocs 2013 August Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos Cordoba, Eloy
out url icon Recercat Complete ŌÉ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex Poater Teixidor, Albert ; Sol√† i Puig, Miquel
out url icon Recercat Complete ŌÉ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex Poater Teixidor, Albert ; Sol√† i Puig, Miquel
doc icon DUGiDocs 2013 Complete ŌÉ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex Poater Teixidor, Albert ; Sol√† i Puig, Miquel
out url icon Recercat Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.
out url icon Recercat Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.
out url icon Recercat 2018 June 1 Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting
out url icon Recercat 2018 June 5 Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.
doc icon DUGiDocs 2016 June 5 Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting El Hamdi Lahfid, Majid ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Timoshkin, A.
out url icon Recercat Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Van Alsenoy, Christian ; Ayers, Paul W. ; Carbó-Dorca, Ramon
doc icon DUGiDocs 2007 Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Alsenoy, Christian van ; Ayers, Paul W. ; Carbó-Dorca, Ramon
out url icon Recercat 2018 June 1 Critical analysis and extension of the Hirshfeld atoms in molecules
out url icon Recercat 2018 June 5 Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Alsenoy, Christian van ; Ayers, Paul W. ; Carbó-Dorca, Ramon
out url icon Recercat 2020 February 15 Critical analysis and extension of the Hirshfeld atoms in molecules Bultinck, Patrick ; Alsenoy, Christian van ; Ayers, Paul W. ; Carbó-Dorca, Ramon
doc icon DUGiDocs 2006 Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Bickelhaupt, Friedrich Matthias
out url icon Recercat Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 1 Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace
out url icon Recercat 2018 June 5 Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2004 The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
out url icon Recercat The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2005 Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
out url icon Recercat Density functional energy decomposition into one- and two-atom contributions Vyboishchikov, Sergei F. ; Salvador Sedano, Pedro ; Duran i Portas, Miquel
doc icon DUGiDocs 2000 Determination of vibrational polarizabilities and hyperpolarizabilities using field-induced coordinates Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Champagne, Beno√ģt ; Kirtman, Bernard
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