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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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13 març 2022 |
Carborane compounds as efficient light-driven in oxidation catalysis |
Guerrero Troyano, Isabel
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13 desembre 2016 |
Development of structurally and electronally versatile aminopyridine cobalt complexes for photo-(electro) reduction of water and ketones |
Call Quintana, Arnau
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Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold at C-N bound and pre-dissociated intersection seam regions |
Li, Huijing
; Migani, Annapaola
; Blancafort San José, Lluís
; Li, Quansong
; Li, Ze-Sheng
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Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold at C-N bound and pre-dissociated intersection seam regions |
Li, Huijing
; Migani, Annapaola
; Blancafort San José, Lluís
; Li, Quansong
; Li, Ze-Sheng
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1 juny 2018 |
Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold at C-N bound and pre-dissociated intersection seam regions |
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5 juny 2018 |
Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold at C-N bound and pre-dissociated intersection seam regions |
Li, Huijing
; Migani, Annapaola
; Blancafort San José, Lluís
; Li, Quansong
; Li, Ze-Sheng
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14 octubre 2016 |
Early events in the photochemistry of 5-diazo Meldrum’s acid: formation of a product manifold at C-N bound and pre-dissociated intersection seam regions |
Li, Huijing
; Migani, Annapaola
; Blancafort San José, Lluís
; Li, Quansong
; Li, Ze-Sheng
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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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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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Photo- and electrocatalytic H2 production by new first-row transition-metal complexes based on an aminopyridine pentadentate ligand |
Call Quintana, Arnau
; Codolà Duch, Zoel
; Acuña-Parés, Ferran
; Lloret Fillol, Julio
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12 maig 2014 |
Photo- and electrocatalytic H2 production by new first-row transition-metal complexes based on an aminopyridine pentadentate ligand |
Call Quintana, Arnau
; Codolà Duch, Zoel
; Acuña-Parés, Ferran
; Lloret Fillol, Julio
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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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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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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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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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