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Journal of Computational Chemistry
|
September 12, 2022
Path integral Brownian chain molecular dynamics: A simple approximation of quantum vibrational dynamics
Motoyuki Shiga
Physical Chemistry Chemical Physics : PCCP
|
May 3, 2022
Structures of liquid and aqueous water isotopologues at ambient temperature from <i>ab initio</i> path integral simulations
Bo Thomsen, Motoyuki Shiga
The Journal of Chemical Physics
|
October 15, 2005
Calculation of heat capacities of light and heavy water by path-integral molecular dynamics
Motoyuki Shiga, Wataru Shinoda
The Journal of Chemical Physics
|
September 16, 2004
Theoretical study on isotope and temperature effect in hydronium ion using ab initio path integral simulation
Masanori Tachikawa, Motoyuki Shiga
The Journal of Chemical Physics
|
October 15, 2013
Boundary based on exchange symmetry theory for multilevel simulations. II. Multiple time scale approach
Motoyuki Shiga, Marco Masia
The Journal of Chemical Physics
|
November 21, 2021
Ab initio study of nuclear quantum effects on sub- and supercritical water
Bo Thomsen, Motoyuki Shiga
The Journal of Chemical Physics
|
February 28, 2021
Nuclear quantum effects on autoionization of water isotopologs studied by ab initio path integral molecular dynamics
Bo Thomsen, Motoyuki Shiga
Journal of the American Chemical Society
|
August 25, 2005
Geometrical H/D isotope effect on hydrogen bonds in charged water clusters
Masanori Tachikawa, Motoyuki Shiga
The Journal of Chemical Physics
|
May 16, 2012
A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates
Motoyuki Shiga, Hiroshi Fujisaki
The Journal of Chemical Physics
|
August 2, 2013
Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory
Motoyuki Shiga, Marco Masia
Page
of 6
Search research articles
Search
Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
September 12, 2022
Path integral Brownian chain molecular dynamics: A simple approximation of quantum vibrational dynamics
Motoyuki Shiga
Physical Chemistry Chemical Physics : PCCP
|
May 3, 2022
Structures of liquid and aqueous water isotopologues at ambient temperature from <i>ab initio</i> path integral simulations
Bo Thomsen, Motoyuki Shiga
The Journal of Chemical Physics
|
October 15, 2005
Calculation of heat capacities of light and heavy water by path-integral molecular dynamics
Motoyuki Shiga, Wataru Shinoda
The Journal of Chemical Physics
|
September 16, 2004
Theoretical study on isotope and temperature effect in hydronium ion using ab initio path integral simulation
Masanori Tachikawa, Motoyuki Shiga
The Journal of Chemical Physics
|
October 15, 2013
Boundary based on exchange symmetry theory for multilevel simulations. II. Multiple time scale approach
Motoyuki Shiga, Marco Masia
The Journal of Chemical Physics
|
November 21, 2021
Ab initio study of nuclear quantum effects on sub- and supercritical water
Bo Thomsen, Motoyuki Shiga
The Journal of Chemical Physics
|
February 28, 2021
Nuclear quantum effects on autoionization of water isotopologs studied by ab initio path integral molecular dynamics
Bo Thomsen, Motoyuki Shiga
Journal of the American Chemical Society
|
August 25, 2005
Geometrical H/D isotope effect on hydrogen bonds in charged water clusters
Masanori Tachikawa, Motoyuki Shiga
The Journal of Chemical Physics
|
May 16, 2012
A quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates
Motoyuki Shiga, Hiroshi Fujisaki
The Journal of Chemical Physics
|
August 2, 2013
Boundary based on exchange symmetry theory for multilevel simulations. I. Basic theory
Motoyuki Shiga, Marco Masia
Page
of 6