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Physical Chemistry Chemical Physics : PCCP
|
March 14, 2023
Localization of nuclear wave functions of lithium in [Li<sup>+</sup>@C<sub>60</sub>]PF<sub>6</sub><sup>-</sup>: molecular insights into two-site disorder-order transition
Hideo Ando, Yoshihide Nakao
The Journal of Chemical Physics
|
July 23, 2004
A local second-order Møller-Plesset method with localized orbitals: a parallelized efficient electron correlation method
Yoshihide Nakao, Kimihiko Hirao
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2021
Quantum states of the endohedral fullerene Li<sup>+</sup>@C<sub>60</sub> surrounded by anions: energy decomposition analysis of nuclear wave functions
Hideo Ando, Yoshihide Nakao
Inorganic Chemistry
|
April 18, 2008
Theoretical study of pyrazolate-bridged dinuclear platinum(II) complexes: interesting potential energy curve of the lowest energy triplet excited state and phosphorescence spectra
Ken Saito, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
March 11, 2009
Bonding nature of open-lantern-type dinuclear Cr(II) complexes. Theoretical study with the MRMP2 method
Yusaku I Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
December 30, 2009
Inverted sandwich type dinuclear chromium(I) complex and its analogues of scandium(I), titanium(I), vanadium(I), manganese(I), and iron(I): theoretical study of electronic structure and bonding nature
Yusaku I Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
January 31, 2012
Theoretical study of inverted sandwich type complexes of 4d transition metal elements: interesting similarities to and differences from 3d transition metal complexes
Yusaku I Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
July 21, 2006
A new analysis of molecular orbital wave functions based on resonance theory
Atsushi Ikeda, Yoshihide Nakao, Hirofumi Sato, et al.
The Journal of Physical Chemistry. A
|
November 4, 2009
{2 + 2} Cycloaddition of alkyne with titanium-imido complex: theoretical study of determining factor of reactivity and regioselectivity
Noriaki Ochi, Yoshihide Nakao, Hirofumi Sato, et al.
Inorganic Chemistry
|
August 13, 2009
Oxygen atom transfer reactions of iridium and osmium complexes: theoretical study of characteristic features and significantly large differences between these two complexes
Atsushi Ishikawa, Yoshihide Nakao, Hirofumi Sato, et al.
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of 5
Search research articles
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Showing results (1-10 of 50) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
March 14, 2023
Localization of nuclear wave functions of lithium in [Li<sup>+</sup>@C<sub>60</sub>]PF<sub>6</sub><sup>-</sup>: molecular insights into two-site disorder-order transition
Hideo Ando, Yoshihide Nakao
The Journal of Chemical Physics
|
July 23, 2004
A local second-order Møller-Plesset method with localized orbitals: a parallelized efficient electron correlation method
Yoshihide Nakao, Kimihiko Hirao
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2021
Quantum states of the endohedral fullerene Li<sup>+</sup>@C<sub>60</sub> surrounded by anions: energy decomposition analysis of nuclear wave functions
Hideo Ando, Yoshihide Nakao
Inorganic Chemistry
|
April 18, 2008
Theoretical study of pyrazolate-bridged dinuclear platinum(II) complexes: interesting potential energy curve of the lowest energy triplet excited state and phosphorescence spectra
Ken Saito, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
March 11, 2009
Bonding nature of open-lantern-type dinuclear Cr(II) complexes. Theoretical study with the MRMP2 method
Yusaku I Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
December 30, 2009
Inverted sandwich type dinuclear chromium(I) complex and its analogues of scandium(I), titanium(I), vanadium(I), manganese(I), and iron(I): theoretical study of electronic structure and bonding nature
Yusaku I Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
January 31, 2012
Theoretical study of inverted sandwich type complexes of 4d transition metal elements: interesting similarities to and differences from 3d transition metal complexes
Yusaku I Kurokawa, Yoshihide Nakao, Shigeyoshi Sakaki
The Journal of Physical Chemistry. A
|
July 21, 2006
A new analysis of molecular orbital wave functions based on resonance theory
Atsushi Ikeda, Yoshihide Nakao, Hirofumi Sato, et al.
The Journal of Physical Chemistry. A
|
November 4, 2009
{2 + 2} Cycloaddition of alkyne with titanium-imido complex: theoretical study of determining factor of reactivity and regioselectivity
Noriaki Ochi, Yoshihide Nakao, Hirofumi Sato, et al.
Inorganic Chemistry
|
August 13, 2009
Oxygen atom transfer reactions of iridium and osmium complexes: theoretical study of characteristic features and significantly large differences between these two complexes
Atsushi Ishikawa, Yoshihide Nakao, Hirofumi Sato, et al.
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of 5