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DUGi: Llistar Títols | dc.subject:"Quàntums, Teoria dels" | 0 - 25


Llistar Títols

S'han trobat 30 ítems

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FormatDataTítolAutor
FormatDataTítolAutor
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 18 desembre 2018 Computational studies of enzymatic and biomimetic catalysts Romero Rivera, Adrian
media icon DUGiMedia 18 desembre 2023 La confiança com a eina creativa Martorell, Jordi
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 1 juny 2018 Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace
out url icon Recercat 5 juny 2018 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 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 ; Solà i Puig, Miquel
out url icon Recercat Electron localization function at the correlated level Matito i Gras, Eduard ; Silvi, Bernard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
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 1 juny 2018 Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly
out url icon Recercat 5 juny 2018 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
doc icon DUGiDocs 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 setembre 2012 Mecànica quàntica: una exitosa i estranya visió de la realitat Bramon, Albert
out url icon Recercat Modeling exact exchange potential in spherically confined atoms Vyboishchikov, Sergei F.
doc icon DUGiDocs 15 octubre 2015 Modeling exact exchange potential in spherically confined atoms Vyboishchikov, Sergei F.
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 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
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
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Matèries


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Autors


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