中農 浩史, 佐藤 啓文 |
中農 浩史, 佐藤 啓文 |
|
金属電極電解液界面の古典動力学シミュレーション |
金属電極電解液界面の古典動力学シミュレーション |
Classical Molecular Dynamics Simulation of Metal Electrodes-Electrolyte Interface |
Journal of Computer Chemistry, Japan, 18, 1, 9-17 |
Journal of Computer Chemistry, Japan, 18, 1, 9-17 |
, 18, 1, 9-17 |
2019/01 |
有 |
日本語 |
研究論文(学術雑誌) |
公開 |
Yusuke Matsumi, Hiroshi Nakano, Hirofumi Sato |
Yusuke Matsumi, Hiroshi Nakano, Hirofumi Sato |
Yusuke Matsumi, Hiroshi Nakano, Hirofumi Sato |
Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models |
Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models |
Constant-potential molecular dynamics simulations on an electrode-electrolyte system: Calculation of static quantities and comparison of two polarizable metal electrode models |
CHEMICAL PHYSICS LETTERS, 681, 80-85 |
CHEMICAL PHYSICS LETTERS, 681, 80-85 |
CHEMICAL PHYSICS LETTERS, 681, 80-85 |
2017/08 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Kento Kasahara, Hiroshi Nakano, Hirofumi Sato |
Kento Kasahara, Hiroshi Nakano, Hirofumi Sato |
Kento Kasahara, Hiroshi Nakano, Hirofumi Sato |
Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries |
Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries |
Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries |
JOURNAL OF PHYSICAL CHEMISTRY B, 121, 20, 5293-5299 |
JOURNAL OF PHYSICAL CHEMISTRY B, 121, 20, 5293-5299 |
JOURNAL OF PHYSICAL CHEMISTRY B, 121, 20, 5293-5299 |
2017/05 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Hirofumi Sato |
Hiroshi Nakano, Hirofumi Sato |
Hiroshi Nakano, Hirofumi Sato |
Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases |
Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases |
Introducing the mean field approximation to CDFT/MMpol method: Statistically converged equilibrium and nonequilibrium free energy calculation for electron transfer reactions in condensed phases |
JOURNAL OF CHEMICAL PHYSICS, 146, 15, 154101 |
JOURNAL OF CHEMICAL PHYSICS, 146, 15, 154101 |
JOURNAL OF CHEMICAL PHYSICS, 146, 15, 154101 |
2017/04 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Hirofumi Sato |
Hiroshi Nakano, Hirofumi Sato |
Hiroshi Nakano, Hirofumi Sato |
An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect |
An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect |
An Ab Initio QM/MM-Based Approach to Efficiently Evaluate Vertical Excitation Energies in Condensed Phases Including the Nonequilibrium Solvation Effect |
JOURNAL OF PHYSICAL CHEMISTRY B, 120, 8, 1670-1678 |
JOURNAL OF PHYSICAL CHEMISTRY B, 120, 8, 1670-1678 |
JOURNAL OF PHYSICAL CHEMISTRY B, 120, 8, 1670-1678 |
2016/03 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato |
Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato |
Hiroshi Nakano, Junki Noguchi, Tomoyuki Mochida, Hirofumi Sato |
Theoretical Studies on the Electronic States and Liquid Structures of Ferrocenium-Based Ionic Liquids |
Theoretical Studies on the Electronic States and Liquid Structures of Ferrocenium-Based Ionic Liquids |
Theoretical Studies on the Electronic States and Liquid Structures of Ferrocenium-Based Ionic Liquids |
JOURNAL OF PHYSICAL CHEMISTRY A, 119, 21, 5181-5188 |
JOURNAL OF PHYSICAL CHEMISTRY A, 119, 21, 5181-5188 |
JOURNAL OF PHYSICAL CHEMISTRY A, 119, 21, 5181-5188 |
2015/05 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
中農 浩史 |
中農 浩史 |
Takuya Wada, Hiroshi Nakano, Hirofumi Sato |
Solvatochromic Shift of Brooker’s Merocyanine: Hartree–Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect |
Solvatochromic Shift of Brooker’s Merocyanine: Hartree–Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect |
Solvatochromic Shift of Brooker's Merocyanine: Hartree-Fock Exchange in Time Dependent Density Functional Calculation and Hydrogen Bonding Effect |
Journal of Chemical Theory and Computation, 10, 10, 4535-4547 |
Journal of Chemical Theory and Computation, 10, 10, 4535-4547 |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 10, 10, 4535-4547 |
2014/10 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Taichi Inagaki, Shinji Aono, Hiroshi Nakano, Takeshi Yamamoto |
Taichi Inagaki, Shinji Aono, Hiroshi Nakano, Takeshi Yamamoto |
Taichi Inagaki, Shinji Aono, Hiroshi Nakano, Takeshi Yamamoto |
Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect |
Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect |
Like-Charge Attraction of Molecular Cations in Water: Subtle Balance between Interionic Interactions and Ionic Solvation Effect |
JOURNAL OF PHYSICAL CHEMISTRY B, 118, 20, 5499-5508 |
JOURNAL OF PHYSICAL CHEMISTRY B, 118, 20, 5499-5508 |
JOURNAL OF PHYSICAL CHEMISTRY B, 118, 20, 5499-5508 |
2014/05 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Takeshi Yamamoto |
Hiroshi Nakano, Takeshi Yamamoto |
Hiroshi Nakano, Takeshi Yamamoto |
Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation |
Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation |
Accurate and Efficient Treatment of Continuous Solute Charge Density in the Mean-Field QM/MM Free Energy Calculation |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 188-203 |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 188-203 |
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 9, 1, 188-203 |
2013/01 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Takeshi Yamamoto |
Hiroshi Nakano, Takeshi Yamamoto |
Hiroshi Nakano, Takeshi Yamamoto |
Including charge penetration effects into the ESP derived partial charge operator  |
Including charge penetration effects into the ESP derived partial charge operator  |
Including charge penetration effects into the ESP derived partial charge operator  |
CHEMICAL PHYSICS LETTERS, 546, 80-85 |
CHEMICAL PHYSICS LETTERS, 546, 80-85 |
CHEMICAL PHYSICS LETTERS, 546, 80-85 |
2012/09 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Takeshi Yamamoto |
Hiroshi Nakano, Takeshi Yamamoto |
Hiroshi Nakano, Takeshi Yamamoto |
Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent  |
Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent  |
Variational calculation of quantum mechanical/molecular mechanical free energy with electronic polarization of solvent  |
JOURNAL OF CHEMICAL PHYSICS, 136, 13 |
JOURNAL OF CHEMICAL PHYSICS, 136, 13 |
JOURNAL OF CHEMICAL PHYSICS, 136, 13 |
2012/04 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |
Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato |
Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato |
Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato |
A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids |
A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids |
A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids |
JOURNAL OF CHEMICAL PHYSICS, 132, 4 |
JOURNAL OF CHEMICAL PHYSICS, 132, 4 |
JOURNAL OF CHEMICAL PHYSICS, 132, 4 |
2010/01 |
有 |
英語 |
研究論文(学術雑誌) |
公開 |