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Science and Technology of Advanced Materials
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February 10, 2017
Focus on materials genome and informatics
Kiyoyuki 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 ribozyme
Mauro Boero, Kiyoyuki Terakura, Masaru Tateno
The Journal of Chemical Physics
|
January 26, 2007
Hydration of alkali ions from first principles molecular dynamics revisited
Takashi 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 study
Mauro 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 dynamics
Takashi 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 reaction
Mauro 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 System
Mauro 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 alloys
Shoji Ishibashi, Akira Uedono, Hiori Kino, et al.
Scientific Reports
|
February 27, 2021
Recreation of the periodic table with an unsupervised machine learning algorithm
Minoru 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 water
Mauro Boero, Tamio Ikeshoji, Chee Chin Liew, et al.
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Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Science and Technology of Advanced Materials
|
February 10, 2017
Focus on materials genome and informatics
Kiyoyuki 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 ribozyme
Mauro Boero, Kiyoyuki Terakura, Masaru Tateno
The Journal of Chemical Physics
|
January 26, 2007
Hydration of alkali ions from first principles molecular dynamics revisited
Takashi 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 study
Mauro 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 dynamics
Takashi 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 reaction
Mauro 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 System
Mauro 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 alloys
Shoji Ishibashi, Akira Uedono, Hiori Kino, et al.
Scientific Reports
|
February 27, 2021
Recreation of the periodic table with an unsupervised machine learning algorithm
Minoru 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 water
Mauro Boero, Tamio Ikeshoji, Chee Chin Liew, et al.
Page
of 2