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Masataka Nagaoka

Showing results (1-10 of 62) with videos related to

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Journal of Chemical Theory and Computation|January 21, 2021
A Constant-pH Hybrid Monte Carlo Method with a Configuration-Selection Scheme Using the Zero Energy Difference Condition: Elucidation of Molecular Diffusivity Correlated with a pH-Dependent Solvation ShellYukichi Kitamura, Masataka Nagaoka
The Journal of Physical Chemistry. B|March 4, 2026
Atomistic Simulation of Ion Pair Aggregates of a (Pyridylamido)Hf(IV) Catalyst: Energetic Destabilization and Structural Diversity Induced by Monomer, Chain Transfer Agent, and Growing Polymer ChainKentaro Matsumoto, Masataka Nagaoka
The Journal of Physical Chemistry. B|October 27, 2016
Na<sup>+</sup> Binding Is Ineffective in Forming a Primary Substrate Pocket of ThrombinIkuo Kurisaki, Masataka Nagaoka
Chemical Record (New York, N.Y.)|March 22, 2019
Microscopic Elucidation of Solid-Electrolyte Interphase (SEI) Film Formation via Atomistic Reaction Simulations: Importance of Functional Groups of Electrolyte and Intact Additive MoleculesNorio Takenaka, Masataka Nagaoka
The Journal of Chemical Physics|June 3, 2017
A transformation theory of stochastic evolution in Red Moon methodology to time evolution of chemical reaction process in the full atomistic systemYuichi Suzuki, Masataka Nagaoka
Journal of Computational Chemistry|June 4, 2019
Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian-based constant potential molecular dynamics simulation studyTaichi Inagaki, Masataka Nagaoka
Scientific Reports|December 15, 2020
Theoretically predicting the feasibility of highly-fluorinated ethers as promising diluents for non-flammable concentrated electrolytesAmine Bouibes, Soumen Saha, Masataka Nagaoka
The Journal of Physical Chemistry. B|August 7, 2007
Microscopic understanding of preferential exclusion of compatible solute ectoine: direct interaction and hydration alterationIsseki Yu, Yoichi Jindo, Masataka Nagaoka
Scientific Reports|April 9, 2014
Non-site-specific allosteric effect of oxygen on human hemoglobin under high oxygen partial pressureMasayoshi Takayanagi, Ikuo Kurisaki, Masataka Nagaoka
Physical Chemistry Chemical Physics : PCCP|November 20, 2018
The crucial role of electron transfer from interfacial molecules in the negative potential shift of Au electrode immersed in ionic liquidsTaichi Inagaki, Norio Takenaka, Masataka Nagaoka
Pageof 7

Showing results (1-10 of 62) with videos related to

Sort By:
Pageof 7
Journal of Chemical Theory and Computation|January 21, 2021
A Constant-pH Hybrid Monte Carlo Method with a Configuration-Selection Scheme Using the Zero Energy Difference Condition: Elucidation of Molecular Diffusivity Correlated with a pH-Dependent Solvation ShellYukichi Kitamura, Masataka Nagaoka
The Journal of Physical Chemistry. B|March 4, 2026
Atomistic Simulation of Ion Pair Aggregates of a (Pyridylamido)Hf(IV) Catalyst: Energetic Destabilization and Structural Diversity Induced by Monomer, Chain Transfer Agent, and Growing Polymer ChainKentaro Matsumoto, Masataka Nagaoka
The Journal of Physical Chemistry. B|October 27, 2016
Na<sup>+</sup> Binding Is Ineffective in Forming a Primary Substrate Pocket of ThrombinIkuo Kurisaki, Masataka Nagaoka
Chemical Record (New York, N.Y.)|March 22, 2019
Microscopic Elucidation of Solid-Electrolyte Interphase (SEI) Film Formation via Atomistic Reaction Simulations: Importance of Functional Groups of Electrolyte and Intact Additive MoleculesNorio Takenaka, Masataka Nagaoka
The Journal of Chemical Physics|June 3, 2017
A transformation theory of stochastic evolution in Red Moon methodology to time evolution of chemical reaction process in the full atomistic systemYuichi Suzuki, Masataka Nagaoka
Journal of Computational Chemistry|June 4, 2019
Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian-based constant potential molecular dynamics simulation studyTaichi Inagaki, Masataka Nagaoka
Scientific Reports|December 15, 2020
Theoretically predicting the feasibility of highly-fluorinated ethers as promising diluents for non-flammable concentrated electrolytesAmine Bouibes, Soumen Saha, Masataka Nagaoka
The Journal of Physical Chemistry. B|August 7, 2007
Microscopic understanding of preferential exclusion of compatible solute ectoine: direct interaction and hydration alterationIsseki Yu, Yoichi Jindo, Masataka Nagaoka
Scientific Reports|April 9, 2014
Non-site-specific allosteric effect of oxygen on human hemoglobin under high oxygen partial pressureMasayoshi Takayanagi, Ikuo Kurisaki, Masataka Nagaoka
Physical Chemistry Chemical Physics : PCCP|November 20, 2018
The crucial role of electron transfer from interfacial molecules in the negative potential shift of Au electrode immersed in ionic liquidsTaichi Inagaki, Norio Takenaka, Masataka Nagaoka
Pageof 7