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The Journal of Physical Chemistry. A
|
March 29, 2007
Quadratic description of conical intersections: characterization of critical points on the extended seam
Fabrizio Sicilia, Lluís Blancafort, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
July 26, 2008
The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step?
Marta Araujo, Benjamin Lasorne, Michael J Bearpark, 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.
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.
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 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.
The Journal of Chemical Physics
|
March 17, 2016
Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations
Andrew J Jenkins, Morgane Vacher, Michael J Bearpark, et al.
The Journal of Chemical Physics
|
January 7, 2005
The curvature of the conical intersection seam: an approximate second-order analysis
Martin J Paterson, Michael J Bearpark, Michael A Robb, et al.
Page
of 8
Search research articles
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Showing results (21-30 of 72) with videos related to
Sort By:
Page
of 8
The Journal of Physical Chemistry. A
|
March 29, 2007
Quadratic description of conical intersections: characterization of critical points on the extended seam
Fabrizio Sicilia, Lluís Blancafort, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
July 26, 2008
The photochemistry of formaldehyde: internal conversion and molecular dissociation in a single step?
Marta Araujo, Benjamin Lasorne, Michael J Bearpark, 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.
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.
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 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.
The Journal of Chemical Physics
|
March 17, 2016
Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations
Andrew J Jenkins, Morgane Vacher, Michael J Bearpark, et al.
The Journal of Chemical Physics
|
January 7, 2005
The curvature of the conical intersection seam: an approximate second-order analysis
Martin J Paterson, Michael J Bearpark, Michael A Robb, et al.
Page
of 8