Listing items by Author "Blancafort San José, Lluís"

72 items found

Showing titles from 0 to 25:

  1  2  3   
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 TDX 2010 February 5 Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
out url icon Recercat Basis set superposition error effects, excited-state potential energy surface and photodynamics of thymine Asturiol Bofill, David
doc icon DUGiDocs 2013 A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene Li, Quansong ; Blancafort San José, Lluís
out url icon Recercat A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene Li, Quansong ; Blancafort San José, Lluís
doc icon DUGiDocs 2013 Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
out url icon Recercat Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
doc icon DUGiDocs 2015 April 14 Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations Ruiz-Barragán, Sergi ; Morokuma, Keiji ; Blancafort San José, Lluís
out url icon Recercat Conical intersection optimization using composed steps inside the ONIOM(QM:MM) scheme: CASSCF:UFF implementation with microiterations Ruiz-Barragán, Sergi ; Morokuma, Keiji ; Blancafort San José, Lluís
doc icon DUGiDocs 2004 The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
out url icon Recercat The curvature of the conical intersection seam: an approximate second-order analysis Paterson, Martin J. ; Bearpark, Michael J. ; Robb, Michael A. ; Blancafort San José, Lluís
out url icon Recercat Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk ​, Alexander A.
doc icon DUGiDocs 2017 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat 2018 June 5 Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations Blancafort San José, Lluís ; Voityuk, Alexander A.
out url icon Recercat Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-β fibrils Peccati, Francesca ; Hernando, Jordi ; Blancafort San José, Lluís ; Solans-Monfort, Xavier ; Sodupe Roure, Mariona
doc icon DUGiDocs 2015 August 14 Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-β fibrils Peccati, Francesca ; Hernando, Jordi ; Blancafort San José, Lluís ; Solans Monfort, Xavier ; Sodupe Roure, Mariona
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 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 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 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 José, Lluís ; Li, Quansong ; Li, Ze-Sheng
doc icon DUGiDocs 2016 September 1 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
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 2018 June 5 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
  1  2  3   

Subjects

Authors