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The Journal of Chemical Physics
|
April 3, 2016
Publisher's Note: "Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations" [J. Chem. Phys. 144, 104110 (2016)]
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.
Journal of Chemical Theory and Computation
|
November 18, 2015
Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum
Quansong Li, Benedetta Mennucci, Michael A Robb, et al.
Faraday Discussions
|
September 22, 2018
Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide
K Eryn Spinlove, Gareth W Richings, Michael A Robb, et al.
Angewandte Chemie (International Ed. in English)
|
March 18, 2010
Significance of a zwitterionic state for fulgide photochromism: implications for the design of mimics
Gaia Tomasello, Michael J Bearpark, Michael A Robb, et al.
Journal of the American Chemical Society
|
February 14, 2002
Dihydroazulene/vinylheptafulvene photochromism: a model for one-way photochemistry via a conical intersection
Martial Boggio-Pasqua, Michael J Bearpark, Patricia A Hunt, et al.
The Journal of Physical Chemistry. A
|
October 4, 2008
Photostability via sloped conical intersections: a computational study of the pyrene radical cation
Andrei M Tokmachev, Martial Boggio-Pasqua, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
May 27, 2010
A straightforward method of analysis for direct quantum dynamics: application to the photochemistry of a model cyanine
Charlotte S M Allan, Benjamin Lasorne, Graham A Worth, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Singlet excited-state dynamics of 5-fluorocytosine and Cytosine: an experimental and computational study
Lluís Blancafort, Boiko Cohen, Patrick M Hare, et al.
The Journal of Physical Chemistry. A
|
September 13, 2008
Modeling the photophysics and photochromic potential of 1,2-dihydronaphthalene (DHN): a combined CASPT2//CASSCF-topological and MMVB-dynamical investigation
Gaia Tomasello, Francois Ogliaro, Michael J Bearpark, et al.
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of 9
Search research articles
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Showing results (41-50 of 88) with videos related to
Sort By:
Page
of 9
The Journal of Chemical Physics
|
April 3, 2016
Publisher's Note: "Nuclear spatial delocalization silences electron density oscillations in 2-phenyl-ethyl-amine (PEA) and 2-phenylethyl-N,N-dimethylamine (PENNA) cations" [J. Chem. Phys. 144, 104110 (2016)]
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.
Journal of Chemical Theory and Computation
|
November 18, 2015
Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum
Quansong Li, Benedetta Mennucci, Michael A Robb, et al.
Faraday Discussions
|
September 22, 2018
Curve crossing in a manifold of coupled electronic states: direct quantum dynamics simulations of formamide
K Eryn Spinlove, Gareth W Richings, Michael A Robb, et al.
Angewandte Chemie (International Ed. in English)
|
March 18, 2010
Significance of a zwitterionic state for fulgide photochromism: implications for the design of mimics
Gaia Tomasello, Michael J Bearpark, Michael A Robb, et al.
Journal of the American Chemical Society
|
February 14, 2002
Dihydroazulene/vinylheptafulvene photochromism: a model for one-way photochemistry via a conical intersection
Martial Boggio-Pasqua, Michael J Bearpark, Patricia A Hunt, et al.
The Journal of Physical Chemistry. A
|
October 4, 2008
Photostability via sloped conical intersections: a computational study of the pyrene radical cation
Andrei M Tokmachev, Martial Boggio-Pasqua, Michael J Bearpark, et al.
The Journal of Physical Chemistry. A
|
May 27, 2010
A straightforward method of analysis for direct quantum dynamics: application to the photochemistry of a model cyanine
Charlotte S M Allan, Benjamin Lasorne, Graham A Worth, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
Singlet excited-state dynamics of 5-fluorocytosine and Cytosine: an experimental and computational study
Lluís Blancafort, Boiko Cohen, Patrick M Hare, et al.
The Journal of Physical Chemistry. A
|
September 13, 2008
Modeling the photophysics and photochromic potential of 1,2-dihydronaphthalene (DHN): a combined CASPT2//CASSCF-topological and MMVB-dynamical investigation
Gaia Tomasello, Francois Ogliaro, Michael J Bearpark, et al.
Page
of 9