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Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
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May 21, 2005
Quantum simulation of the heat capacity of water
Wataru Shinoda, Motoyuki Shiga
The Journal of Physical Chemistry Letters
|
October 6, 2018
Finding Free-Energy Landmarks of Chemical Reactions
Motoyuki Shiga, Mark E Tuckerman
Science (New York, N.Y.)
|
January 8, 2005
Grain boundary decohesion by impurity segregation in a nickel-sulfur system
Masatake Yamaguchi, Motoyuki Shiga, Hideo Kaburaki
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
The Journal of Chemical Physics
|
April 15, 2010
Onsager-Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways
Hiroshi Fujisaki, Motoyuki Shiga, Akinori Kidera
Journal of Computational Chemistry
|
July 10, 2021
The mechanism of sorbitol dehydration in hot acidic solutions
Tomomi Kondo, Takehiko Sasaki, Motoyuki Shiga
The Journal of Chemical Physics
|
December 6, 2006
HD isotope effect on the dihydrogen bond of NH+4...BeH2 by ab initio path integral molecular dynamics simulation
Aiko Hayashi, Motoyuki Shiga, Masanori Tachikawa
The Journal of Chemical Physics
|
March 17, 2018
Nuclear quantum effects of light and heavy water studied by all-electron first principles path integral simulations
Masahiko Machida, Koichiro Kato, Motoyuki Shiga
The Journal of Physical Chemistry. A
|
February 10, 2009
Quantum effects on vibrational and electronic spectra of hydrazine studied by "on-the-fly" ab initio ring polymer molecular dynamics
Anna Kaczmarek, Motoyuki Shiga, Dominik Marx
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
Page
of 6
Search research articles
Search
Showing results (11-20 of 52) with videos related to
Sort By:
Page
of 6
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|
May 21, 2005
Quantum simulation of the heat capacity of water
Wataru Shinoda, Motoyuki Shiga
The Journal of Physical Chemistry Letters
|
October 6, 2018
Finding Free-Energy Landmarks of Chemical Reactions
Motoyuki Shiga, Mark E Tuckerman
Science (New York, N.Y.)
|
January 8, 2005
Grain boundary decohesion by impurity segregation in a nickel-sulfur system
Masatake Yamaguchi, Motoyuki Shiga, Hideo Kaburaki
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
The Journal of Chemical Physics
|
April 15, 2010
Onsager-Machlup action-based path sampling and its combination with replica exchange for diffusive and multiple pathways
Hiroshi Fujisaki, Motoyuki Shiga, Akinori Kidera
Journal of Computational Chemistry
|
July 10, 2021
The mechanism of sorbitol dehydration in hot acidic solutions
Tomomi Kondo, Takehiko Sasaki, Motoyuki Shiga
The Journal of Chemical Physics
|
December 6, 2006
HD isotope effect on the dihydrogen bond of NH+4...BeH2 by ab initio path integral molecular dynamics simulation
Aiko Hayashi, Motoyuki Shiga, Masanori Tachikawa
The Journal of Chemical Physics
|
March 17, 2018
Nuclear quantum effects of light and heavy water studied by all-electron first principles path integral simulations
Masahiko Machida, Koichiro Kato, Motoyuki Shiga
The Journal of Physical Chemistry. A
|
February 10, 2009
Quantum effects on vibrational and electronic spectra of hydrazine studied by "on-the-fly" ab initio ring polymer molecular dynamics
Anna Kaczmarek, Motoyuki Shiga, Dominik Marx
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
Page
of 6