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The Journal of Chemical Physics
|
January 26, 2011
Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore
Dmitry Zuev, Ksenia B Bravaya, T Daniel Crawford, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
New relativistic ANO basis sets for transition metal atoms
Björn O Roos, Roland Lindh, Per-Ake Malmqvist, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 6, 2006
Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
Ya-Jun Liu, Devarajan Ajitha, Jesper Wisborg Krogh, et al.
Journal of Chemical Theory and Computation
|
June 22, 2016
Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical Intersections
Ignacio Fdez Galván, Mickaël G Delcey, Thomas Bondo Pedersen, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions
Jonas Boström, Michal Pitoňák, Francesco Aquilante, et al.
Inorganic Chemistry
|
November 10, 2020
<i>P</i>,<i>N</i>-Chelated Gold(III) Complexes: Structure and Reactivity
Ann Christin Reiersølmoen, Stefano Battaglia, Andreas Orthaber, et al.
Journal of the American Chemical Society
|
February 24, 2011
The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects
Igor Schapiro, Mikhail Nikolaevich Ryazantsev, Luis Manuel Frutos, et al.
Photochemistry and Photobiology
|
October 13, 2012
Are the bio- and chemiluminescence states of the firefly oxyluciferin the same as the fluorescence state?
Isabelle Navizet, Daniel Roca-Sanjuán, Ling Yue, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 6, 2019
Molecular Basis of the Chemiluminescence Mechanism of Luminol
Angelo Giussani, Pooria Farahani, Daniel Martínez-Muñoz, et al.
Journal of Computational Chemistry
|
June 11, 2013
Parallelization of a multiconfigurational perturbation theory
Steven Vancoillie, Mickaël G Delcey, Roland Lindh, et al.
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Search research articles
Search
Showing results (61-70 of 114) with videos related to
Sort By:
Page
of 12
The Journal of Chemical Physics
|
January 26, 2011
Electronic structure of the two isomers of the anionic form of p-coumaric acid chromophore
Dmitry Zuev, Ksenia B Bravaya, T Daniel Crawford, et al.
The Journal of Physical Chemistry. A
|
July 13, 2006
New relativistic ANO basis sets for transition metal atoms
Björn O Roos, Roland Lindh, Per-Ake Malmqvist, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 6, 2006
Spin-orbit ab initio investigation of the photolysis of bromoiodomethane
Ya-Jun Liu, Devarajan Ajitha, Jesper Wisborg Krogh, et al.
Journal of Chemical Theory and Computation
|
June 22, 2016
Analytical State-Average Complete-Active-Space Self-Consistent Field Nonadiabatic Coupling Vectors: Implementation with Density-Fitted Two-Electron Integrals and Application to Conical Intersections
Ignacio Fdez Galván, Mickaël G Delcey, Thomas Bondo Pedersen, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Coupled Cluster and Møller-Plesset Perturbation Theory Calculations of Noncovalent Intermolecular Interactions using Density Fitting with Auxiliary Basis Sets from Cholesky Decompositions
Jonas Boström, Michal Pitoňák, Francesco Aquilante, et al.
Inorganic Chemistry
|
November 10, 2020
<i>P</i>,<i>N</i>-Chelated Gold(III) Complexes: Structure and Reactivity
Ann Christin Reiersølmoen, Stefano Battaglia, Andreas Orthaber, et al.
Journal of the American Chemical Society
|
February 24, 2011
The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects
Igor Schapiro, Mikhail Nikolaevich Ryazantsev, Luis Manuel Frutos, et al.
Photochemistry and Photobiology
|
October 13, 2012
Are the bio- and chemiluminescence states of the firefly oxyluciferin the same as the fluorescence state?
Isabelle Navizet, Daniel Roca-Sanjuán, Ling Yue, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 6, 2019
Molecular Basis of the Chemiluminescence Mechanism of Luminol
Angelo Giussani, Pooria Farahani, Daniel Martínez-Muñoz, et al.
Journal of Computational Chemistry
|
June 11, 2013
Parallelization of a multiconfigurational perturbation theory
Steven Vancoillie, Mickaël G Delcey, Roland Lindh, et al.
Page
of 12