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1 setembre 2016 |
The excited-state structure, vibrations, lifetimes, and nonradiative dynamics of jet-cooled 1-methylcytosine |
Trachsel, Maria A.
; Wiedmer, Timo
; Blaser, Susan
; Frey, Hans-Martin
; Li, Quansong
; Ruiz-Barragán, Sergi
; Blancafort San José, Lluís
; Leutwyler, Samuel
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Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study |
Blancafort San José, Lluís
; Voityuk, Alexander A.
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Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study |
Blancafort San José, Lluís
; Voityuk, Alexander A.
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2014 |
Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study |
Blancafort San José, Lluís
; Voityuk, Alexander A.
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Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) |
Migani, Annapaola
; Blancafort San José, Lluís
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14 desembre 2016 |
Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) |
Migani, Annapaola
; Blancafort San José, Lluís
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juny 2016 |
Modelització de les diverses glicoformes de l’antigen prostàtic específic (PSA) |
Palomanes Jimenez, Aitor
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Modelització de les diverses glicoformes de l’antigen prostàtic específic (PSA) |
Palomanes Jimenez, Aitor
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setembre 2017 |
Modelització de materials per a cel·les fotovoltaiques |
Esbert Pons, Lluc
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setembre 2017 |
Modelització de la melanina |
Casademont Ojeda, Aleix
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19 setembre 2014 |
Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control |
Ruiz-Barragán, Sergi
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Modelling of potential energy surfaces for photochemistry: conical intersections and application to optical control |
Ruiz-Barragán, Sergi
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Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate |
Li, Quansong
; Giussani, Angelo
; Segarra-Martí, Javier
; Nenov, Artur
; Rivalta, Ivan
; Voityuk, Alexander A.
; Mukamel, Shaul
; Roca-Sanjuán, Daniel
; Garavelli, Marco
; Blancafort San José, Lluís
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Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate |
Li, Quansong
; Giussani, Angelo
; Segarra-Martí, Javier
; Nenov, Artur
; Rivalta, Ivan
; Voityuk, Alexander A.
; Mukamel, Shaul
; Roca-Sanjuán, Daniel
; Garavelli, Marco
; Blancafort San José, Lluís
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5 juny 2018 |
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate |
Li, Quansong
; Giussani, Angelo
; Segarra-Martí, Javier
; Nenov, Artur
; Rivalta, Ivan
; Voityuk, Alexander A.
; Mukamel, Shaul
; Roca-Sanjuán, Daniel
; Garavelli, Marco
; Blancafort San José, Lluís
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23 maig 2016 |
Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate |
Li, Quansong
; Giussani, Angelo
; Segarra Martí, Javier
; Nenov, Artur
; Rivalta, Ivan
; Voityuk, Alexander A.
; Mukamel, Shaul
; Roca Sanjuán, Daniel
; Garavelli, Marco
; Blancafort San José, Lluís
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2003 |
A new efficient approach to the direct restricted active space self-consistent field method |
Klene, Michael
; Robb, Michael A.
; Blancafort San José, Lluís
; Frisch, Michael J.
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A new efficient approach to the direct restricted active space self-consistent field method |
Klene, Michael
; Robb, Michael A.
; Blancafort San José, Lluís
; Frisch, Michael J.
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15 febrer 2020 |
A new twist in the photophysics of the GFP chromophore: a volume-conserving molecular torsion couple |
Conyard, Jamie
; Heisler, Ismael A.
; Chan, Yohan
; Page, Philip C. Bulman
; Meech, Stephen R.
; Blancafort San José, Lluís
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21 febrer 2018 |
A new twist in the photophysics of the GFP chromophore: a volume-conserving molecular torsion couple |
Conyard, Jamie
; Heisler, Ismael A.
; Chan, Yohan
; Page, Philip C. Bulman
; Meech, Stephen R.
; Blancafort San José, Lluís
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On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model |
Butchosa Robles, Cristina
; Simon i Rabasseda, Sílvia
; Blancafort San José, Lluís
; Voityuk, Alexander A.
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2014 |
On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model |
Butchosa Robles, Cristina
; Simon i Rabasseda, Sílvia
; Blancafort San José, Lluís
; Voityuk, Alexander A.
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5 juliol 2010 |
Opening |
Blancafort San José, Lluís
; Calbó Angrill, Josep
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setembre 2016 |
Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process |
Escayola Gordils, Sílvia
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Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process |
Escayola Gordils, Sílvia
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