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Physical Chemistry Chemical Physics : PCCP
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July 1, 2022
Multistructural microiteration combined with QM/MM-ONIOM electrostatic embedding
Kimichi Suzuki, Satoshi Maeda
Journal of Computational Chemistry
|
June 24, 2017
Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems
Kimichi Suzuki, Keiji Morokuma, Satoshi Maeda
The Journal of Physical Chemistry. A
|
June 4, 2013
Ab initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bonds
Yukio Kawashima, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics
|
December 3, 2008
Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansion
Kimichi Suzuki, Motoyuki Shiga, Masanori Tachikawa
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 22, 2015
Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum Effect
Taro Udagawa, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics
|
April 22, 2010
Efficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to fluoride ion-water cluster
Kimichi Suzuki, Masanori Tachikawa, Motoyuki Shiga
ACS Omega
|
August 29, 2019
Roles of Closed- and Open-Loop Conformations in Large-Scale Structural Transitions of l-Lactate Dehydrogenase
Kimichi Suzuki, Satoshi Maeda, Keiji Morokuma
The Journal of Chemical Physics
|
March 25, 2010
The chemical shift of deprotonated water dimer: ab initio path integral simulation
Motoyuki Shiga, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics
|
May 17, 2013
Temperature dependence on the structure of Zundel cation and its isotopomers
Kimichi Suzuki, Masanori Tachikawa, Motoyuki Shiga
The Journal of Chemical Physics
|
November 1, 2024
Efficient quantum mechanical minimum free energy path calculation by combining path integral hybrid Monte Carlo and climbing image nudged elastic band methods, and its application to the addition reaction of hydrogen isocyanide to formaldehyde
Aiko Io, Kimichi Suzuki, Makito Takagi, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Physical Chemistry Chemical Physics : PCCP
|
July 1, 2022
Multistructural microiteration combined with QM/MM-ONIOM electrostatic embedding
Kimichi Suzuki, Satoshi Maeda
Journal of Computational Chemistry
|
June 24, 2017
Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems
Kimichi Suzuki, Keiji Morokuma, Satoshi Maeda
The Journal of Physical Chemistry. A
|
June 4, 2013
Ab initio path integral simulations for the fluoride ion-water clusters: competitive nuclear quantum effect between F(-)-water and water-water hydrogen bonds
Yukio Kawashima, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics
|
December 3, 2008
Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansion
Kimichi Suzuki, Motoyuki Shiga, Masanori Tachikawa
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 22, 2015
Multicomponent Molecular Orbital-Climbing Image-Nudged Elastic Band Method to Analyze Chemical Reactions Including Nuclear Quantum Effect
Taro Udagawa, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics
|
April 22, 2010
Efficient ab initio path integral hybrid Monte Carlo based on the fourth-order Trotter expansion: Application to fluoride ion-water cluster
Kimichi Suzuki, Masanori Tachikawa, Motoyuki Shiga
ACS Omega
|
August 29, 2019
Roles of Closed- and Open-Loop Conformations in Large-Scale Structural Transitions of l-Lactate Dehydrogenase
Kimichi Suzuki, Satoshi Maeda, Keiji Morokuma
The Journal of Chemical Physics
|
March 25, 2010
The chemical shift of deprotonated water dimer: ab initio path integral simulation
Motoyuki Shiga, Kimichi Suzuki, Masanori Tachikawa
The Journal of Chemical Physics
|
May 17, 2013
Temperature dependence on the structure of Zundel cation and its isotopomers
Kimichi Suzuki, Masanori Tachikawa, Motoyuki Shiga
The Journal of Chemical Physics
|
November 1, 2024
Efficient quantum mechanical minimum free energy path calculation by combining path integral hybrid Monte Carlo and climbing image nudged elastic band methods, and its application to the addition reaction of hydrogen isocyanide to formaldehyde
Aiko Io, Kimichi Suzuki, Makito Takagi, et al.
Page
of 2