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Photochemistry and Photophysics at Extended Seams of Conical Intersection |
Blancafort San José, Lluís
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2014 |
Photochemistry and Photophysics at Extended Seams of Conical Intersection |
Blancafort San José, Lluís
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Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam |
Ruiz-Barragán, Sergi
; Blancafort San José, Lluís
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2013 |
Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam |
Ruiz-Barragán, Sergi
; Blancafort San José, Lluís
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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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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 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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23 març 2016 |
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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The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective |
Jenkins, Samantha
; Blancafort San José, Lluís
; Kirk, Steven R
; Bearpark, Michael J.
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2014 |
The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective |
Jenkins, Samantha
; Blancafort San José, Lluís
; Kirk, Steven R
; Bearpark, Michael J.
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Role of hyperconjugation in the 1,2-shift reactivity of bicyclo[2.1.0]pentane and cyclopropane radical cations: A computational study |
Blancafort San José, Lluís
; Williams, Ffrancon
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2012 |
Role of hyperconjugation in the 1,2-shift reactivity of bicyclo[2.1.0]pentane and cyclopropane radical cations: A computational study |
Blancafort San José, Lluís
; Williams, Ffrancon
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setembre 2018 |
Simulació de cel·les fotovoltaiques orgàniques |
Lorenzo Beza, Joel
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Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds |
Gil-Sepulcre, Marcos
; Axelson, Jordan C.
; Aguiló, Joan
; Solà-Hernández, Lluís
; Francàs, Laia
; Poater Teixidor, Albert
; Blancafort San José, Lluís
; Benet Buchholz, Jordi
; Guirado, Gonzalo
; Escriche, Lluís
; Llobet Dalmases, Antoni
; Bofill, Roger
; Sala Román, Xavier
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7 octubre 2016 |
Synthesis and Isomeric Analysis of RuII Complexes Bearing Pentadentate Scaffolds |
Gil-Sepulcre, Marcos
; Axelson, Jordan C.
; Aguiló, Joan
; Solà-Hernández, Lluís
; Francàs, Laia
; Poater Teixidor, Albert
; Blancafort San José, Lluís
; Benet Buchholz, Jordi
; Guirado, Gonzalo
; Escriche, Lluís
; Llobet Dalmases, Antoni
; Bofill, Roger
; Sala Román, Xavier
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Triplet Mediated C−N Dissociation versus Internal Conversion in Electronically Excited N‑Methylpyrrole |
Blancafort San José, Lluís
; Ovejas, Virginia
; Montero, Raúl
; Fernández-Fernández, Marta
; Longarte, Asier
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15 març 2016 |
Triplet Mediated C−N Dissociation versus Internal Conversion in Electronically Excited N‑Methylpyrrole |
Blancafort San José, Lluís
; Ovejas, Virginia
; Montero, Raúl
; Fernández Fernández, Marta
; Longarte, Asier
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Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor |
Horke, Daniel A.
; Li, Quansong
; Blancafort San José, Lluís
; Verlet, Jan R. R.
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2013 |
Ultrafast above-threshold dynamics of the radical anion of a prototypical quinone electron-acceptor |
Horke, Daniel A.
; Li, Quansong
; Blancafort San José, Lluís
; Verlet, Jan R. R.
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A valence bond description of the prefulvene extended conical intersection seam of benzene |
Blancafort San José, Lluís
; Robb, Michael A.
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2012 |
A valence bond description of the prefulvene extended conical intersection seam of benzene |
Blancafort San José, Lluís
; Robb, Michael A.
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Wave Packet Dynamics at an Extended Seam of Conical Intersection: Mechanism of the Light-Induced Wolff Rearrangement |
Li, Quansong
; Migani, Annapaola
; Blancafort San José, Lluís
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