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Journal of Chemical Theory and Computation
|
December 2, 2015
New Algorithms for Optimizing and Linking Conical Intersection Points
Fabrizio Sicilia, Lluís Blancafort, Michael J Bearpark, et al.
Journal of the American Chemical Society
|
May 14, 2008
An extended conical intersection seam associated with a manifold of decay paths: excited-state intramolecular proton transfer in O-hydroxybenzaldehyde
Annapaola Migani, Lluís Blancafort, Michael A Robb, et al.
Journal of the American Chemical Society
|
March 6, 2007
Photostability versus photodegradation in the excited-state intramolecular proton transfer of nitro enamines: competing reaction paths and conical intersections
Annapaola Migani, Michael J Bearpark, Massimo Olivucci, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Geometric Rotation of the Nuclear Gradient at a Conical Intersection: Extension to Complex Rotation of Diabatic States
Jan Meisner, Morgane Vacher, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
January 30, 2018
A Definition of the Magnetic Transition Temperature Using Valence Bond Theory
Joaquim Jornet-Somoza, Mercè Deumal, Juan Borge, et al.
The Journal of Physical Chemistry Letters
|
June 10, 2021
Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S<sub>1</sub> and S<sub>2</sub>
Massimo Olivucci, Thierry Tran, Graham A Worth, et al.
The Journal of Physical Chemistry. A
|
June 1, 2019
Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States
Thierry Tran, Javier Segarra-Martí, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Mechanism of an Exceptional Class of photostabilizers: a seam of conical intersection parallel to excited state intramolecular proton transfer (ESIPT) in o-hydroxyphenyl-(1,3,5)-triazine
Martin J Paterson, Michael A Robb, Lluís Blancafort, et al.
The Journal of Chemical Physics
|
July 23, 2004
A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene
Martial Boggio-Pasqua, Michael J Bearpark, Michael Klene, et al.
Physical Review Letters
|
March 11, 2017
Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence
Morgane Vacher, Michael J Bearpark, Michael A Robb, et al.
Page
of 9
Search research articles
Search
Showing results (21-30 of 88) with videos related to
Sort By:
Page
of 9
Journal of Chemical Theory and Computation
|
December 2, 2015
New Algorithms for Optimizing and Linking Conical Intersection Points
Fabrizio Sicilia, Lluís Blancafort, Michael J Bearpark, et al.
Journal of the American Chemical Society
|
May 14, 2008
An extended conical intersection seam associated with a manifold of decay paths: excited-state intramolecular proton transfer in O-hydroxybenzaldehyde
Annapaola Migani, Lluís Blancafort, Michael A Robb, et al.
Journal of the American Chemical Society
|
March 6, 2007
Photostability versus photodegradation in the excited-state intramolecular proton transfer of nitro enamines: competing reaction paths and conical intersections
Annapaola Migani, Michael J Bearpark, Massimo Olivucci, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Geometric Rotation of the Nuclear Gradient at a Conical Intersection: Extension to Complex Rotation of Diabatic States
Jan Meisner, Morgane Vacher, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
January 30, 2018
A Definition of the Magnetic Transition Temperature Using Valence Bond Theory
Joaquim Jornet-Somoza, Mercè Deumal, Juan Borge, et al.
The Journal of Physical Chemistry Letters
|
June 10, 2021
Unlocking the Double Bond in Protonated Schiff Bases by Coherent Superposition of S<sub>1</sub> and S<sub>2</sub>
Massimo Olivucci, Thierry Tran, Graham A Worth, et al.
The Journal of Physical Chemistry. A
|
June 1, 2019
Molecular Vertical Excitation Energies Studied with First-Order RASSCF (RAS[1,1]): Balancing Covalent and Ionic Excited States
Thierry Tran, Javier Segarra-Martí, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Mechanism of an Exceptional Class of photostabilizers: a seam of conical intersection parallel to excited state intramolecular proton transfer (ESIPT) in o-hydroxyphenyl-(1,3,5)-triazine
Martin J Paterson, Michael A Robb, Lluís Blancafort, et al.
The Journal of Chemical Physics
|
July 23, 2004
A computational strategy for geometry optimization of ionic and covalent excited states, applied to butadiene and hexatriene
Martial Boggio-Pasqua, Michael J Bearpark, Michael Klene, et al.
Physical Review Letters
|
March 11, 2017
Electron Dynamics upon Ionization of Polyatomic Molecules: Coupling to Quantum Nuclear Motion and Decoherence
Morgane Vacher, Michael J Bearpark, Michael A Robb, et al.
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of 9