Hirofumi Sato

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 43

Top Venues

Physical chemistry chemical physics : PCCP

Journal of computational chemistry

The journal of physical chemistry letters

The Journal of chemical physics

Kyoto University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Kyoto University Jul 01 2010

Japan

Professor :: Molecular Engineering

Kyoto University May 01 2004 - Jun 30 2010

Japan

Associate Professor :: Molecular Engineering

Kyoto University May 01 2002 - Apr 30 2004

Japan

Senior Lecture :: Molecular Engineering

Institute for Molecular Science Aug 01 1996 - Apr 30 2002

Japan

Assistant Professor :: Theoretical Studies

Publications

Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Akira Yamakata, Kosaku Kato, Takumi Urakami, Sota Tsujimura, Kasumi Murayama, Masahiro Higashi, Hirofumi Sato, Yasuhiro Kobori, Tomokazu Umeyama, Hiroshi Imahori
Boosting charge separation in organic photovoltaics: unveiling dipole moment variations in excited non-fullerene acceptor layers. Chemical science 15 (32) (2024)
Taichi Kurita, Masahiro Higashi, Joan Gimenez-Dejoz, Seiya Fujita, Hirotaka Uji, Hirofumi Sato, Keiji Numata
Synthesis of All-Peptide-Based Rotaxane from a Proline-Containing Cyclic Peptide. Biomacromolecules 25 (6) (2024)
Taichi Kurita, Masahiro Higashi, Joan Gimenez-Dejoz, Seiya Fujita, Hirotaka Uji, Hirofumi Sato, Keiji Numata
Synthesis of All-Peptide-Based Rotaxane from a Proline-Containing Cyclic Peptide. Biomacromolecules (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters (2024)
Akira Yamakata, Kosaku Kato, Takumi Urakami, Sota Tsujimura, Kasumi Murayama, Masahiro Higashi, Hirofumi Sato, Yasuhiro Kobori, Tomokazu Umeyama, Hiroshi Imahori
Boosting charge separation in organic photovoltaics: unveiling dipole moment variations in excited non-fullerene acceptor layers. Chemical science 15 (32) (2024)
Tsukasa Abe, Keisuke Takeuchi, Masahiro Higashi, Hirofumi Sato, Shuichi Hiraoka
Rational design of metal-organic cages to increase the number of components via dihedral angle control. Nature communications 15 (1) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Kosuke Imamura, Daisuke Yokogawa, Hirofumi Sato
Spin-Spin Coupling Constant Based on Reference Interaction Site Model Self-Consistent Field with Constrained Spatial Electron Density. The journal of physical chemistry letters 15 (29) (2024)
Takayuki Umakoshi, Takumi Urakami, Haruki Kidoguchi, Keishi Yang, Prabhat Verma, Hirofumi Sato, Masahiro Higashi, Ikuko Tsukamoto
Raman Spectroscopic and DFT Study of COA-Cl and Its Analogues. The journal of physical chemistry. A 127 (8) (2023)
Takayuki Umakoshi, Takumi Urakami, Haruki Kidoguchi, Keishi Yang, Prabhat Verma, Hirofumi Sato, Masahiro Higashi, Ikuko Tsukamoto
Raman Spectroscopic and DFT Study of COA-Cl and Its Analogues. The journal of physical chemistry. A (2023)
Takayuki Umakoshi, Takumi Urakami, Haruki Kidoguchi, Keishi Yang, Prabhat Verma, Hirofumi Sato, Masahiro Higashi, Ikuko Tsukamoto
Raman Spectroscopic and DFT Study of COA-Cl and Its Analogues. The journal of physical chemistry. A 127 (8) (2023)
Satoshi Takahashi, Satoru Iuchi, Shuichi Hiraoka, Hirofumi Sato
Theoretical and computational methodologies for understanding coordination self-assembly complexes. Physical chemistry chemical physics : PCCP (2023)
Tomokazu Umeyama, Daizu Mizutani, Yuki Ikeda, W Ryan Osterloh, Futa Yamamoto, Kosaku Kato, Akira Yamakata, Masahiro Higashi, Takumi Urakami, Hirofumi Sato, Hiroshi Imahori
An emissive charge-transfer excited-state at the well-defined hetero-nanostructure interface of an organic conjugated molecule and two-dimensional inorganic nanosheet. Chemical science 14 (42) (2023)
Kaho Nakatani, Hirofumi Sato
A geminal theory based on the generalized electron pairing. The Journal of chemical physics 158 (21) (2023)
Atsushi Okazawa, Naoki Sanada, Satoshi Takahashi, Hirofumi Sato, Shuichi Hiraoka
Pathway selection in the self-assembly of Rh 4 L 4 coordination squares under kinetic control. Communications chemistry 6 (1) (2023)
Xue Peng, Yuki Hirao, Shunsuke Yabu, Hirofumi Sato, Masahiro Higashi, Takuya Akai, Shigeyuki Masaoka, Harunobu Mitsunuma, Motomu Kanai
A Catalytic Alkylation of Ketones via sp 3 C-H Bond Activation. The Journal of organic chemistry (2022)
Ken Takahashi, Hiroshi Nakano, Hirofumi Sato
Accelerated constant-voltage quantum mechanical/molecular mechanical method for molecular systems at electrochemical interfaces. The Journal of chemical physics 157 (23) (2022)
Xinman Zhang, Satoshi Takahashi, Keisuke Aratsu, Isamu Kikuchi, Hirofumi Sato, Shuichi Hiraoka
Cyclization or bridging: which occurs faster is the key to the self-assembly mechanism of Pd 6 L 3 coordination prisms. Physical chemistry chemical physics : PCCP 24 (5) (2022)
Kosuke Imamura, Daisuke Yokogawa, Masahiro Higashi, Hirofumi Sato
Reference interaction site model self-consistent field with constrained spatial electron density approach for nuclear magnetic shielding in solution. The Journal of chemical physics 157 (20) (2022)
Kosuke Imamura, Masahiro Higashi, Yoji Kobayashi, Hongcheng Lu, Hirofumi Sato
Chemical Shift of Solvated Hydride Ion: Comparative Study with Solvated Fluoride Ion. The journal of physical chemistry. B 126 (16) (2022)
Kaho Nakatani, Hirofumi Sato, Ryoichi Fukuda
A catalyzed E / Z isomerization mechanism of stilbene using para -benzoquinone as a triplet sensitizer. Physical chemistry chemical physics : PCCP 24 (3) (2022)
Kaho Nakatani, Sho Teshigawara, Yuta Tanahashi, Kento Kasahara, Masahiro Higashi, Hirofumi Sato
Solvation in nitration of benzene and the valence electronic structure of the Wheland intermediate. Physical chemistry chemical physics : PCCP 24 (27) (2022)
Kaho Nakatani, Masahiro Higashi, Ryoichi Fukuda, Hirofumi Sato
An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine. Journal of computational chemistry 42 (23) (2021)
Tomoki Tateishi, Satoshi Takahashi, Isamu Kikuchi, Keisuke Aratsu, Hirofumi Sato, Shuichi Hiraoka
Unexpected Self-Assembly Pathway to a Pd(II) Coordination Square-Based Pyramid and Its Preferential Formation beyond the Boltzmann Distribution. Inorganic chemistry 60 (21) (2021)
Keiji Naka, Hirofumi Sato, Masahiro Higashi
Theoretical study of the mechanism of the solvent dependency of ESIPT in HBT. Physical chemistry chemical physics : PCCP 23 (36) (2021)
Kaori Fujii, Hiroshi Nakano, Hirofumi Sato, Yoshifumi Kimura
Experimental observation of the unique solvation process along multiple solvation coordinates of photodissociated products. Physical chemistry chemical physics : PCCP 23 (8) (2021)
Yuichiro Yoshida, Hayato Yokoi, Hirofumi Sato
Energy landscape study of water splitting and H2 evolution at a ruthenium(II) pincer complex. Journal of computational chemistry 41 (26) (2020)
Yuichiro Yoshida, Satoru Iuchi, Hirofumi Sato
A quantum chemical model for a series of self-assembled nanocages: the origin of stability behind the coordination-driven formation of transition metal complexes up to [M12L24]24. Physical chemistry chemical physics : PCCP (2020)
Tomoki Tateishi, Satoshi Takahashi, Atsushi Okazawa, Vicente Martí-Centelles, Jianzhu Wang, Tatsuo Kojima, Paul J Lusby, Hirofumi Sato, Shuichi Hiraoka
Navigated Self-Assembly of a Pd2L4 Cage by Modulation of an Energy Landscape under Kinetic Control. Journal of the American Chemical Society 141 (50) (2019)
Shohei Komine, Satoshi Takahashi, Tatsuo Kojima, Hirofumi Sato, Shuichi Hiraoka
Self-Assembly Processes of Octahedron-Shaped Pd6L4 Cages. Journal of the American Chemical Society 141 (7) (2019)
Hiroshi Nakano, Hirofumi Sato
A chemical potential equalization approach to constant potential polarizable electrodes for electrochemical-cell simulations. The Journal of chemical physics 151 (16) (2019)
Kento Kosugi, Hiroshi Nakano, Hirofumi Sato
SCC-DFTB-PIMD Method To Evaluate a Multidimensional Quantum Free-Energy Surface for a Proton-Transfer Reaction. Journal of chemical theory and computation 15 (9) (2019)
Tomoaki Yagi, Hirofumi Sato
A simple model of planar membrane: An integral equation investigation. Journal of computational chemistry 39 (31) (2018)
Tatsuya Iioka, Satoshi Takahashi, Yuichiro Yoshida, Yoshihiro Matsumura, Shuichi Hiraoka, Hirofumi Sato
A kinetics study of ligand substitution reaction on dinuclear platinum complexes: Stochastic versus deterministic approach. Journal of computational chemistry 40 (1) (2018)
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. The Journal of chemical physics 146 (15) (2018)
Takeshi Yamamoto, Hadi H Arefi, Sudhanshu Shanker, Hirofumi Sato, Shuichi Hiraoka
Self-Assembly of Nanocubic Molecular Capsules via Solvent-Guided Formation of Rectangular Blocks. The journal of physical chemistry letters 9 (20) (2018)
Satoshi Takahashi, Yuya Sasaki, Shuichi Hiraoka, Hirofumi Sato
A stochastic model study on the self-assembly process of a Pd2L4 cage consisting of rigid ditopic ligands. Physical chemistry chemical physics : PCCP 21 (12) (2018)
Kento Kasahara, Hirofumi Sato
Time-dependent pair distribution functions based on Smoluchowski equation and application to an electrolyte solution. Journal of computational chemistry 39 (20) (2018)
Shigeru Yamaguchi, Takahiro Nishimura, Yuta Hibe, Masaki Nagai, Hirofumi Sato, Ian Johnston
Regularized regression analysis of digitized molecular structures in organic reactions for quantification of steric effects. Journal of computational chemistry 38 (21) (2017)
Kenji Hirano, Hiroshi Nakano, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
Photo absorption of p-coumaric acid in aqueous solution: RISM-SCF-SEDD theory approach. Journal of computational chemistry 38 (18) (2017)
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. The journal of physical chemistry. B 121 (20) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Hirofumi Sato