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Kiyoyuki Terakura

Showing results (1-10 of 19) with videos related to

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Science and Technology of Advanced Materials|February 10, 2017
Focus on materials genome and informaticsKiyoyuki Terakura, Ichiro Takeuchi
Journal of the American Chemical Society|July 26, 2002
Catalytic role of metal ion in the selection of competing reaction paths: a first principles molecular dynamics study of the enzymatic reaction in ribozymeMauro Boero, Kiyoyuki Terakura, Masaru Tateno
The Journal of Chemical Physics|January 26, 2007
Hydration of alkali ions from first principles molecular dynamics revisitedTakashi Ikeda, Mauro Boero, Kiyoyuki Terakura
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 3, 2005
Density and temperature dependence of proton diffusion in water: a first-principles molecular dynamics studyMauro Boero, Tamio Ikeshoji, Kiyoyuki Terakura
The Journal of Chemical Physics|August 28, 2007
Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamicsTakashi Ikeda, Mauro Boero, Kiyoyuki Terakura
Journal of the American Chemical Society|December 21, 2006
Hsc70 ATPase: an insight into water dissociation and joint catalytic role of K+ and Mg2+ metal cations in the hydrolysis reactionMauro Boero, Takashi Ikeda, Etsuro Ito, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes:  First-Principles Molecular Dynamics Simulations of a Fully Hydrated Model SystemMauro Boero, Masaru Tateno, Kiyoyuki Terakura, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 21, 2019
Computational study of positron annihilation parameters for cation mono-vacancies and vacancy complexes in nitride semiconductor alloysShoji Ishibashi, Akira Uedono, Hiori Kino, et al.
Scientific Reports|February 27, 2021
Recreation of the periodic table with an unsupervised machine learning algorithmMinoru Kusaba, Chang Liu, Yukinori Koyama, et al.
Journal of the American Chemical Society|May 20, 2004
Hydrogen bond driven chemical reactions: Beckmann rearrangement of cyclohexanone oxime into epsilon-caprolactam in supercritical waterMauro Boero, Tamio Ikeshoji, Chee Chin Liew, et al.
Pageof 2

Showing results (1-10 of 19) with videos related to

Sort By:
Pageof 2
Science and Technology of Advanced Materials|February 10, 2017
Focus on materials genome and informaticsKiyoyuki Terakura, Ichiro Takeuchi
Journal of the American Chemical Society|July 26, 2002
Catalytic role of metal ion in the selection of competing reaction paths: a first principles molecular dynamics study of the enzymatic reaction in ribozymeMauro Boero, Kiyoyuki Terakura, Masaru Tateno
The Journal of Chemical Physics|January 26, 2007
Hydration of alkali ions from first principles molecular dynamics revisitedTakashi Ikeda, Mauro Boero, Kiyoyuki Terakura
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 3, 2005
Density and temperature dependence of proton diffusion in water: a first-principles molecular dynamics studyMauro Boero, Tamio Ikeshoji, Kiyoyuki Terakura
The Journal of Chemical Physics|August 28, 2007
Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamicsTakashi Ikeda, Mauro Boero, Kiyoyuki Terakura
Journal of the American Chemical Society|December 21, 2006
Hsc70 ATPase: an insight into water dissociation and joint catalytic role of K+ and Mg2+ metal cations in the hydrolysis reactionMauro Boero, Takashi Ikeda, Etsuro Ito, et al.
Journal of Chemical Theory and Computation|December 8, 2015
Double-Metal-Ion/Single-Metal-Ion Mechanisms of the Cleavage Reaction of Ribozymes:  First-Principles Molecular Dynamics Simulations of a Fully Hydrated Model SystemMauro Boero, Masaru Tateno, Kiyoyuki Terakura, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 21, 2019
Computational study of positron annihilation parameters for cation mono-vacancies and vacancy complexes in nitride semiconductor alloysShoji Ishibashi, Akira Uedono, Hiori Kino, et al.
Scientific Reports|February 27, 2021
Recreation of the periodic table with an unsupervised machine learning algorithmMinoru Kusaba, Chang Liu, Yukinori Koyama, et al.
Journal of the American Chemical Society|May 20, 2004
Hydrogen bond driven chemical reactions: Beckmann rearrangement of cyclohexanone oxime into epsilon-caprolactam in supercritical waterMauro Boero, Tamio Ikeshoji, Chee Chin Liew, et al.
Pageof 2