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The Journal of Chemical Physics
|
December 27, 2005
Nonadiabatic chemical dynamics in an intense laser field: electronic wave packet coupled with classical nuclear motions
Kiyoshi Yagi, Kazuo Takatsuka
The Journal of Physical Chemistry. A
|
March 10, 2017
Infrared Spectra of Protonated Water Clusters, H<sup>+</sup>(H<sub>2</sub>O)<sub>4</sub>, in Eigen and Zundel Forms Studied by Vibrational Quasi-Degenerate Perturbation Theory
Kiyoshi Yagi, Bo Thomsen
Journal of Chemical Theory and Computation
|
July 23, 2021
Anharmonic Vibrational Calculations Based on Group-Localized Coordinates: Applications to Internal Water Molecules in Bacteriorhodopsin
Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics
|
March 5, 2014
Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene
Kiyoshi Yagi, Hiroki Otaki
The Journal of Physical Chemistry. B
|
April 29, 2021
Exploring the Minimum-Energy Pathways and Free-Energy Profiles of Enzymatic Reactions with QM/MM Calculations
Kiyoshi Yagi, Shingo Ito, Yuji Sugita
The Journal of Chemical Physics
|
July 28, 2007
Efficient configuration selection scheme for vibrational second-order perturbation theory
Kiyoshi Yagi, So Hirata, Kimihiko Hirao
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2008
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
Kiyoshi Yagi, So Hirata, Kimihiko Hirao
The Journal of Chemical Physics
|
March 22, 2023
Allosteric regulation of β-reaction stage I in tryptophan synthase upon the α-ligand binding
Shingo Ito, Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics
|
July 24, 2010
First-principles theories for anharmonic lattice vibrations
So Hirata, Murat Keçeli, Kiyoshi Yagi
The Journal of Physical Chemistry. B
|
April 21, 2022
Computational Analysis on the Allostery of Tryptophan Synthase: Relationship between α/β-Ligand Binding and Distal Domain Closure
Shingo Ito, Kiyoshi Yagi, Yuji Sugita
Page
of 7
Search research articles
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Showing results (1-10 of 65) with videos related to
Sort By:
Page
of 7
The Journal of Chemical Physics
|
December 27, 2005
Nonadiabatic chemical dynamics in an intense laser field: electronic wave packet coupled with classical nuclear motions
Kiyoshi Yagi, Kazuo Takatsuka
The Journal of Physical Chemistry. A
|
March 10, 2017
Infrared Spectra of Protonated Water Clusters, H<sup>+</sup>(H<sub>2</sub>O)<sub>4</sub>, in Eigen and Zundel Forms Studied by Vibrational Quasi-Degenerate Perturbation Theory
Kiyoshi Yagi, Bo Thomsen
Journal of Chemical Theory and Computation
|
July 23, 2021
Anharmonic Vibrational Calculations Based on Group-Localized Coordinates: Applications to Internal Water Molecules in Bacteriorhodopsin
Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics
|
March 5, 2014
Vibrational quasi-degenerate perturbation theory with optimized coordinates: applications to ethylene and trans-1,3-butadiene
Kiyoshi Yagi, Hiroki Otaki
The Journal of Physical Chemistry. B
|
April 29, 2021
Exploring the Minimum-Energy Pathways and Free-Energy Profiles of Enzymatic Reactions with QM/MM Calculations
Kiyoshi Yagi, Shingo Ito, Yuji Sugita
The Journal of Chemical Physics
|
July 28, 2007
Efficient configuration selection scheme for vibrational second-order perturbation theory
Kiyoshi Yagi, So Hirata, Kimihiko Hirao
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2008
Vibrational quasi-degenerate perturbation theory: applications to fermi resonance in CO2, H2CO, and C6H6
Kiyoshi Yagi, So Hirata, Kimihiko Hirao
The Journal of Chemical Physics
|
March 22, 2023
Allosteric regulation of β-reaction stage I in tryptophan synthase upon the α-ligand binding
Shingo Ito, Kiyoshi Yagi, Yuji Sugita
The Journal of Chemical Physics
|
July 24, 2010
First-principles theories for anharmonic lattice vibrations
So Hirata, Murat Keçeli, Kiyoshi Yagi
The Journal of Physical Chemistry. B
|
April 21, 2022
Computational Analysis on the Allostery of Tryptophan Synthase: Relationship between α/β-Ligand Binding and Distal Domain Closure
Shingo Ito, Kiyoshi Yagi, Yuji Sugita
Page
of 7