Photochemistry

Llistar Títols per Matèria "Photochemistry"

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doc icon DUGiDocs 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
out url icon Recercat 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
doc icon DUGiDocs 13 març 2022 Carborane compounds as efficient light-driven in oxidation catalysis Guerrero Troyano, Isabel
doc icon DUGiDocs 13 desembre 2016 Development of structurally and electronally versatile aminopyridine cobalt complexes for photo-(electro) reduction of water and ketones Call Quintana, Arnau
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 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
doc icon DUGiDocs 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
out url icon Recercat 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
doc icon DUGiDocs 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
out url icon Recercat Photochemistry and Photophysics at Extended Seams of Conical Intersection Blancafort San José, Lluís
doc icon DUGiDocs 2014 Photochemistry and Photophysics at Extended Seams of Conical Intersection Blancafort San José, Lluís
out url icon Recercat 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
doc icon DUGiDocs 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
out url icon Recercat Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragán, Sergi ; Blancafort San José, Lluís
doc icon DUGiDocs 2013 Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragán, Sergi ; Blancafort San José, Lluís
out url icon Recercat Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases Improta, Roberto ; Santoro, Fabrizio ; Blancafort San José, Lluís
doc icon DUGiDocs 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
out url icon Recercat 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.
doc icon DUGiDocs 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.
out url icon Recercat 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
doc icon DUGiDocs 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
out url icon Recercat A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
doc icon DUGiDocs 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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