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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
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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
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18 desembre 2018 |
Computational studies of enzymatic and biomimetic catalysts |
Romero Rivera, Adrian
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18 desembre 2023 |
La confiança com a eina creativa |
Martorell, Jordi
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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
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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
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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
|
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1 juny 2018 |
Cuestionada la interpretación de Bader sobre el significado de los puntos críticos de enlace |
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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
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2008 |
Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study |
Voityuk, Alexander A.
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Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study |
Voityuk, Alexander A.
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2006 |
Electron localization function at the correlated level |
Matito i Gras, Eduard
; Silvi, Bernard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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Electron localization function at the correlated level |
Matito i Gras, Eduard
; Silvi, Bernard
; Duran i Portas, Miquel
; Solà i Puig, Miquel
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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
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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
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1 juny 2018 |
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
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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
|
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|
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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
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setembre 2012 |
Mecànica quàntica: una exitosa i estranya visió de la realitat |
Bramon, Albert
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Modeling exact exchange potential in spherically confined atoms |
Vyboishchikov, Sergei F.
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15 octubre 2015 |
Modeling exact exchange potential in spherically confined atoms |
Vyboishchikov, Sergei F.
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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
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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
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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
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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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