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FormatDateTitleAuthor
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doc icon DUGiDocs 2008 Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry Lasorne, Benjamin ; Sicilia, Fabrizio ; Bearpark, Michael J. ; Robb, Michael A. ; Worth, Graham A. ; Blancafort San José, Lluís
out url icon Recercat Automatic generation of active coordinates for quantum dynamics calculations: application to the dynamics of benzene photochemistry Lasorne, Benjamin ; Sicilia, Fabrizio ; Bearpark, Michael J. ; Robb, Michael A. ; Worth, Graham A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2006 Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂ­ticos de enlace Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; Bickelhaupt, Friedrich Matthias
out url icon Recercat Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂ­ticos de enlace Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂ­ticos de enlace Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 1 Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂ­ticos de enlace
out url icon Recercat 2018 June 5 Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂ­ticos de enlace Poater i Teixidor, Jordi ; SolĂ  i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2008 Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study Voityuk, Alexander A.
out url icon Recercat Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study Voityuk, Alexander A.
doc icon DUGiDocs 2006 Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
out url icon Recercat Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; SolĂ  i Puig, Miquel
doc icon DUGiDocs 2016 Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly Zanuy, David ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Hamley, Ian W. ; Alemán, Carlos
out url icon Recercat Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly Zanuy, David ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Hamley, Ian W. ; Alemán, Carlos
out url icon Recercat Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly Zanuy, David ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Hamley, Ian W. ; Alemán, Carlos
out url icon Recercat 2018 June 1 Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly
out url icon Recercat 2018 June 5 Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly Zanuy, David ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Hamley, Ian W. ; Alemán, Carlos
media icon DUGiMedia 2012 September MecĂ nica quĂ ntica: una exitosa i estranya visiĂł de la realitat Bramon, Albert
doc icon DUGiDocs 2015 October 15 Modeling exact exchange potential in spherically confined atoms Vyboishchikov, Sergei F.
out url icon Recercat Modeling exact exchange potential in spherically confined atoms Vyboishchikov, Sergei F.
doc icon DUGiDocs 2015 Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum Li, Quansong ; Mennucci, Benedetta ; Robb, Michael A. ; Blancafort San José, Lluís ; Curutchet, Carles
out url icon Recercat Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum Li, Quansong ; Mennucci, Benedetta ; Robb, Michael A. ; Blancafort San José, Lluís ; Curutchet, Carles
doc icon DUGiDocs 2011 Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy Blancafort San José, Lluís ; Gatti, Fabien ; Meyer, Hans-Dieter
out url icon Recercat Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy Blancafort San José, Lluís ; Gatti, Fabien ; Meyer, Hans-Dieter
out url icon Recercat Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy Blancafort San José, Lluís ; Gatti, Fabien ; Meyer, Hans-Dieter
doc icon DUGiDocs 2016 March 23 Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases Improta, Roberto ; Santoro, Fabrizio ; Blancafort San José, Lluís
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