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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 Molecules
Norio Takenaka, Masataka Nagaoka
The Journal of Physical Chemistry. B
|
January 23, 2016
Efficient Computational Research Protocol to Survey Free Energy Surface for Solution Chemical Reaction in the QM/MM Framework: The FEG-ER Methodology and Its Application to Isomerization Reaction of Glycine in Aqueous Solution
Norio Takenaka, Yukichi Kitamura, 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 liquids
Taichi Inagaki, Norio Takenaka, Masataka Nagaoka
ACS Omega
|
February 17, 2025
Computational Screening of Glyme-Based Room-Temperature Aluminum Plating Solutions
Tomoya Kanno, Tsubasa Otsuki, Norio Takenaka, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Dual Approach to Vibrational Spectra in Solution: Microscopic Influence of Hydrogen Bonding to the State of Motion of Glycine in Water
Yukichi Kitamura, Norio Takenaka, Yoshiyuki Koyano, et al.
The Journal of Physical Chemistry Letters
|
September 19, 2019
Microscopic Origin of the Solid Electrolyte Interphase Formation in Fire-Extinguishing Electrolyte: Formation of Pure Inorganic Layer in High Salt Concentration
Amine Bouibes, Norio Takenaka, Soumen Saha, et al.
Journal of Computational Chemistry
|
August 27, 2010
An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework
Yoshiyuki Koyano, Norio Takenaka, Yukinori Nakagawa, et al.
The Journal of Chemical Physics
|
July 19, 2012
An improvement in quantum mechanical description of solute-solvent interactions in condensed systems via the number-adaptive multiscale quantum mechanical/molecular mechanical-molecular dynamics method: application to zwitterionic glycine in aqueous solution
Norio Takenaka, Yukichi Kitamura, Yoshiyuki Koyano, et al.
Journal of Computational Chemistry
|
October 23, 2009
An optimum strategy for solution chemistry using semiempirical molecular orbital method: importance of description of charge distribution
Norio Takenaka, Yoshiyuki Koyano, Yukinori Nakagawa, et al.
Nature Communications
|
February 19, 2024
Liquid Madelung energy accounts for the huge potential shift in electrochemical systems
Norio Takenaka, Seongjae Ko, Atsushi Kitada, et al.
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Search research articles
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Showing results (1-10 of 25) with videos related to
Sort By:
Page
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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 Molecules
Norio Takenaka, Masataka Nagaoka
The Journal of Physical Chemistry. B
|
January 23, 2016
Efficient Computational Research Protocol to Survey Free Energy Surface for Solution Chemical Reaction in the QM/MM Framework: The FEG-ER Methodology and Its Application to Isomerization Reaction of Glycine in Aqueous Solution
Norio Takenaka, Yukichi Kitamura, 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 liquids
Taichi Inagaki, Norio Takenaka, Masataka Nagaoka
ACS Omega
|
February 17, 2025
Computational Screening of Glyme-Based Room-Temperature Aluminum Plating Solutions
Tomoya Kanno, Tsubasa Otsuki, Norio Takenaka, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Dual Approach to Vibrational Spectra in Solution: Microscopic Influence of Hydrogen Bonding to the State of Motion of Glycine in Water
Yukichi Kitamura, Norio Takenaka, Yoshiyuki Koyano, et al.
The Journal of Physical Chemistry Letters
|
September 19, 2019
Microscopic Origin of the Solid Electrolyte Interphase Formation in Fire-Extinguishing Electrolyte: Formation of Pure Inorganic Layer in High Salt Concentration
Amine Bouibes, Norio Takenaka, Soumen Saha, et al.
Journal of Computational Chemistry
|
August 27, 2010
An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework
Yoshiyuki Koyano, Norio Takenaka, Yukinori Nakagawa, et al.
The Journal of Chemical Physics
|
July 19, 2012
An improvement in quantum mechanical description of solute-solvent interactions in condensed systems via the number-adaptive multiscale quantum mechanical/molecular mechanical-molecular dynamics method: application to zwitterionic glycine in aqueous solution
Norio Takenaka, Yukichi Kitamura, Yoshiyuki Koyano, et al.
Journal of Computational Chemistry
|
October 23, 2009
An optimum strategy for solution chemistry using semiempirical molecular orbital method: importance of description of charge distribution
Norio Takenaka, Yoshiyuki Koyano, Yukinori Nakagawa, et al.
Nature Communications
|
February 19, 2024
Liquid Madelung energy accounts for the huge potential shift in electrochemical systems
Norio Takenaka, Seongjae Ko, Atsushi Kitada, et al.
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