Photochemistry

Listing items with Subject "Photochemistry"

25 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
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 2022 March 13 Carborane compounds as efficient light-driven in oxidation catalysis Guerrero Troyano, Isabel
doc icon DUGiDocs 2016 December 13 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 JosĂ©, LluĂ­s ; 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 JosĂ©, LluĂ­s ; Li, Quansong ; Li, Ze-Sheng
out url icon Recercat 2018 June 1 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 2018 June 5 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 JosĂ©, LluĂ­s ; Li, Quansong ; Li, Ze-Sheng
doc icon DUGiDocs 2016 October 14 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 JosĂ©, LluĂ­s ; Li, Quansong ; Li, Ze-Sheng
out url icon Recercat 2020 February 15 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 2018 February 21 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 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 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-Barragån, Sergi ; Blancafort San José, Lluís
doc icon DUGiDocs Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam Ruiz-Barragån, 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 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 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 JosĂ©, LluĂ­s ; Ovejas, Virginia ; Montero, Raúl ; Fernández-Fernández, Marta ; Longarte, Asier
doc icon DUGiDocs Triplet Mediated C−N Dissociation versus Internal Conversion in Electronically Excited N‑Methylpyrrole Blancafort San JosĂ©, LluĂ­s ; 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 A valence bond description of the prefulvene extended conical intersection seam of benzene Blancafort San José, Lluís ; Robb, Michael A.
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