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The Journal of Chemical Physics
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October 24, 2014
An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster-configuration interaction method: the accuracy of excitation energies and intuitive charge-transfer indices
Ryoichi Fukuda, Masahiro Ehara
The Journal of Chemical Physics
|
April 8, 2023
Theoretical insights into the support effect on the NO activation over platinum-group metal catalysts
Pei Zhao, Masahiro Ehara
The Journal of Chemical Physics
|
January 24, 2015
Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methods
Thomas Sommerfeld, Masahiro Ehara
Chemical Record (New York, N.Y.)
|
January 22, 2019
Gold-Palladium Nanocluster Catalysts for Homocoupling: Electronic Structure and Interface Dynamics
Masahiro Ehara, U Deva Priyakumar
The Journal of Chemical Physics
|
October 19, 2010
Excited states and electronic spectra of extended tetraazaporphyrins
Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji
The Journal of Chemical Physics
|
July 26, 2006
Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra
Biswajit Saha, Masahiro Ehara, Hiroshi Nakatsuji
Inorganic Chemistry
|
August 22, 2017
Theoretical Insight into Sc<sub>2</sub>C<sub>76</sub>: Carbide Clusterfullerene Sc<sub>2</sub>C<sub>2</sub>@C<sub>74</sub> versus Dimetallofullerene Sc<sub>2</sub>@C<sub>76</sub>
Pei Zhao, Xiang Zhao, Masahiro Ehara
The Journal of Chemical Physics
|
January 11, 2005
Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: first-row K-shell ionizations and their satellites
Kei Kuramoto, Masahiro Ehara, Hiroshi Nakatsuji
The Journal of Chemical Physics
|
February 9, 2007
Electronic excitations of fluoroethylenes
Sundaram Arulmozhiraja, Masahiro Ehara, Hiroshi Nakatsuji
The Journal of Chemical Physics
|
December 3, 2008
Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene
Sundaram Arulmozhiraja, Masahiro Ehara, Hiroshi Nakatsuji
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of 17
Search research articles
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Showing results (11-20 of 170) with videos related to
Sort By:
Page
of 17
The Journal of Chemical Physics
|
October 24, 2014
An efficient computational scheme for electronic excitation spectra of molecules in solution using the symmetry-adapted cluster-configuration interaction method: the accuracy of excitation energies and intuitive charge-transfer indices
Ryoichi Fukuda, Masahiro Ehara
The Journal of Chemical Physics
|
April 8, 2023
Theoretical insights into the support effect on the NO activation over platinum-group metal catalysts
Pei Zhao, Masahiro Ehara
The Journal of Chemical Physics
|
January 24, 2015
Short-range stabilizing potential for computing energies and lifetimes of temporary anions with extrapolation methods
Thomas Sommerfeld, Masahiro Ehara
Chemical Record (New York, N.Y.)
|
January 22, 2019
Gold-Palladium Nanocluster Catalysts for Homocoupling: Electronic Structure and Interface Dynamics
Masahiro Ehara, U Deva Priyakumar
The Journal of Chemical Physics
|
October 19, 2010
Excited states and electronic spectra of extended tetraazaporphyrins
Ryoichi Fukuda, Masahiro Ehara, Hiroshi Nakatsuji
The Journal of Chemical Physics
|
July 26, 2006
Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra
Biswajit Saha, Masahiro Ehara, Hiroshi Nakatsuji
Inorganic Chemistry
|
August 22, 2017
Theoretical Insight into Sc<sub>2</sub>C<sub>76</sub>: Carbide Clusterfullerene Sc<sub>2</sub>C<sub>2</sub>@C<sub>74</sub> versus Dimetallofullerene Sc<sub>2</sub>@C<sub>76</sub>
Pei Zhao, Xiang Zhao, Masahiro Ehara
The Journal of Chemical Physics
|
January 11, 2005
Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: first-row K-shell ionizations and their satellites
Kei Kuramoto, Masahiro Ehara, Hiroshi Nakatsuji
The Journal of Chemical Physics
|
February 9, 2007
Electronic excitations of fluoroethylenes
Sundaram Arulmozhiraja, Masahiro Ehara, Hiroshi Nakatsuji
The Journal of Chemical Physics
|
December 3, 2008
Electronic transitions in cis- and trans-dichloroethylenes and tetrachloroethylene
Sundaram Arulmozhiraja, Masahiro Ehara, Hiroshi Nakatsuji
Page
of 17