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Journal of Computational Chemistry
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April 24, 2007
New parallel algorithm for MP2 energy gradient calculations
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
Journal of Computational Chemistry
|
January 19, 2006
A new parallel algorithm of MP2 energy calculations
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 14, 2014
Quantum mechanical molecular interactions for calculating the excitation energy in molecular environments: a first-order interacting space approach
Jun-Ya Hasegawa, Kazuma Yanai, Kazuya Ishimura
The Journal of Physical Chemistry. A
|
August 19, 2009
Mechanism and dynamic correlation effects in cycloaddition reactions of singlet difluorocarbene to alkenes and disilene
Xingfa Gao, Yuhki Ohtsuka, Kazuya Ishimura, et al.
Chemical Communications (Cambridge, England)
|
October 12, 2021
A new strategy for hyperconjugative antiaromatic compounds utilizing negative charges: a dibenzo[<i>b</i>,<i>f</i>]silepinyl dianion
Shotaro Ito, Youichi Ishii, Kazuya Ishimura, et al.
The Journal of Physical Chemistry. A
|
November 5, 2014
First-principles computational visualization of localized surface plasmon resonance in gold nanoclusters
Kenji Iida, Masashi Noda, Kazuya Ishimura, et al.
The Journal of Physical Chemistry. A
|
March 26, 2009
Dichlorocarbene addition to C60 from the trichloromethyl anion: carbene mechanism or Bingel mechanism?
Xingfa Gao, Kazuya Ishimura, Shigeru Nagase, et al.
Chemistry, an Asian Journal
|
September 3, 2011
Synthesis of a novel lithocene that has aromatic-like nature with nonaromatic rings
Masaichi Saito, Takuya Kuwabara, Kazuya Ishimura, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Interaction Energy of Large Molecules from Restrained Denominator MP2-F12
Yu-Ya Ohnishi, Kazuya Ishimura, Seiichiro Ten-No
The Journal of Chemical Physics
|
August 3, 2011
Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital method
Takeshi Nagata, Dmitri G Fedorov, Kazuya Ishimura, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
April 24, 2007
New parallel algorithm for MP2 energy gradient calculations
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
Journal of Computational Chemistry
|
January 19, 2006
A new parallel algorithm of MP2 energy calculations
Kazuya Ishimura, Peter Pulay, Shigeru Nagase
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
November 14, 2014
Quantum mechanical molecular interactions for calculating the excitation energy in molecular environments: a first-order interacting space approach
Jun-Ya Hasegawa, Kazuma Yanai, Kazuya Ishimura
The Journal of Physical Chemistry. A
|
August 19, 2009
Mechanism and dynamic correlation effects in cycloaddition reactions of singlet difluorocarbene to alkenes and disilene
Xingfa Gao, Yuhki Ohtsuka, Kazuya Ishimura, et al.
Chemical Communications (Cambridge, England)
|
October 12, 2021
A new strategy for hyperconjugative antiaromatic compounds utilizing negative charges: a dibenzo[<i>b</i>,<i>f</i>]silepinyl dianion
Shotaro Ito, Youichi Ishii, Kazuya Ishimura, et al.
The Journal of Physical Chemistry. A
|
November 5, 2014
First-principles computational visualization of localized surface plasmon resonance in gold nanoclusters
Kenji Iida, Masashi Noda, Kazuya Ishimura, et al.
The Journal of Physical Chemistry. A
|
March 26, 2009
Dichlorocarbene addition to C60 from the trichloromethyl anion: carbene mechanism or Bingel mechanism?
Xingfa Gao, Kazuya Ishimura, Shigeru Nagase, et al.
Chemistry, an Asian Journal
|
September 3, 2011
Synthesis of a novel lithocene that has aromatic-like nature with nonaromatic rings
Masaichi Saito, Takuya Kuwabara, Kazuya Ishimura, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Interaction Energy of Large Molecules from Restrained Denominator MP2-F12
Yu-Ya Ohnishi, Kazuya Ishimura, Seiichiro Ten-No
The Journal of Chemical Physics
|
August 3, 2011
Analytic energy gradient for second-order Møller-Plesset perturbation theory based on the fragment molecular orbital method
Takeshi Nagata, Dmitri G Fedorov, Kazuya Ishimura, et al.
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of 3