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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 JosĂ©, LluĂs
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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 JosĂ©, LluĂs
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2018 December 18 |
Computational studies of enzymatic and biomimetic catalysts |
Romero Rivera, Adrian
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2023 December 18 |
La confiança com a eina creativa |
Martorell, Jordi
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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
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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
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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
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2018 June 1 |
Cuestionada la interpretaciĂłn de Bader sobre el significado de los puntos crĂticos de enlace |
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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
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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
; SolĂ i Puig, Miquel
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Electron localization function at the correlated level |
Matito i Gras, Eduard
; Silvi, Bernard
; Duran i Portas, Miquel
; SolĂ i Puig, Miquel
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Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
Zanuy, David
; Poater i Teixidor, Jordi
; SolĂ 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
; SolĂ i Puig, Miquel
; Hamley, Ian W.
; Alemán, Carlos
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2018 June 1 |
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
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2018 June 5 |
Fmoc-RGDS based fibrils: Atomic details of their hierarchical assembly |
Zanuy, David
; Poater i Teixidor, Jordi
; SolĂ 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
; SolĂ i Puig, Miquel
; Hamley, Ian W.
; Alemán, Carlos
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2012 September |
MecĂ nica quĂ ntica: una exitosa i estranya visiĂł de la realitat |
Bramon, Albert
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Modeling exact exchange potential in spherically confined atoms |
Vyboishchikov, Sergei F.
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2015 October 15 |
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 JosĂ©, LluĂs
; 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 JosĂ©, LluĂs
; 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 JosĂ©, LluĂs
; 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 JosĂ©, LluĂs
; Gatti, Fabien
; Meyer, Hans-Dieter
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