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The Journal of Chemical Physics
|
October 25, 2006
The extension of the fragment molecular orbital method with the many-particle Green's function
Koji Yasuda, Daisuke Yamaki
The Journal of Chemical Physics
|
August 31, 2004
Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method
Koji Yasuda, Daisuke Yamaki
The Journal of Chemical Physics
|
October 9, 2012
Communication: Explicitly correlated four-component relativistic second-order Møller-Plesset perturbation theory
Seiichiro Ten-no, Daisuke Yamaki
The Journal of Chemical Physics
|
October 16, 2007
Basis set limits of the second order Moller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene
Daisuke Yamaki, Henrik Koch, Seiichiro Ten-no
Chemical Science
|
August 10, 2018
The functional role of the structure of the dioxo-isobacteriochlorin in the catalytic site of cytochrome cd<sub>1</sub> for the reduction of nitrite
Hiroshi Fujii, Daisuke Yamaki, Takashi Ogura, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 8, 2008
Evaluation of electron population terms for <r-3Se>4p, <r-3S>3p, and <r-3O>(2p): how do HOMO and LUMO shrink or expand depending on nuclear charges?
Waro Nakanishi, Satoko Hayashi, Kenji Narahara, et al.
Inorganic Chemistry
|
June 22, 2012
Effect of the axial ligand on the reactivity of the oxoiron(IV) porphyrin π-cation radical complex: higher stabilization of the product state relative to the reactant state
Akihiro Takahashi, Daisuke Yamaki, Kenichiro Ikemura, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 2, 2012
Versatile supramolecular gelators that can harden water, organic solvents and ionic liquids
Nami Minakuchi, Kazuki Hoe, Daisuke Yamaki, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
October 25, 2006
The extension of the fragment molecular orbital method with the many-particle Green's function
Koji Yasuda, Daisuke Yamaki
The Journal of Chemical Physics
|
August 31, 2004
Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method
Koji Yasuda, Daisuke Yamaki
The Journal of Chemical Physics
|
October 9, 2012
Communication: Explicitly correlated four-component relativistic second-order Møller-Plesset perturbation theory
Seiichiro Ten-no, Daisuke Yamaki
The Journal of Chemical Physics
|
October 16, 2007
Basis set limits of the second order Moller-Plesset correlation energies of water, methane, acetylene, ethylene, and benzene
Daisuke Yamaki, Henrik Koch, Seiichiro Ten-no
Chemical Science
|
August 10, 2018
The functional role of the structure of the dioxo-isobacteriochlorin in the catalytic site of cytochrome cd<sub>1</sub> for the reduction of nitrite
Hiroshi Fujii, Daisuke Yamaki, Takashi Ogura, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
July 8, 2008
Evaluation of electron population terms for <r-3Se>4p, <r-3S>3p, and <r-3O>(2p): how do HOMO and LUMO shrink or expand depending on nuclear charges?
Waro Nakanishi, Satoko Hayashi, Kenji Narahara, et al.
Inorganic Chemistry
|
June 22, 2012
Effect of the axial ligand on the reactivity of the oxoiron(IV) porphyrin π-cation radical complex: higher stabilization of the product state relative to the reactant state
Akihiro Takahashi, Daisuke Yamaki, Kenichiro Ikemura, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 2, 2012
Versatile supramolecular gelators that can harden water, organic solvents and ionic liquids
Nami Minakuchi, Kazuki Hoe, Daisuke Yamaki, et al.
Page
of 1