東 雅大

Last Update: 2021/06/25 17:01:26

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Name(Kanji/Kana/Abecedarium Latinum)
東 雅大/ヒガシ マサヒロ/Higashi, Masahiro
Primary Affiliation(Org1/Job title)
Graduate Schools Engineering/Associate Professor
Faculty
Org1 Job title
工学部
Academic Degree
Field(Japanese) Field(English) University(Japanese) University(English) Method
修士(理学) 京都大学
博士(理学) 京都大学
ORCID ID
https://orcid.org/0000-0001-9829-389X
researchmap URL
https://researchmap.jp/masahiro_higashi
Published Papers
Author Author(Japanese) Author(English) Title Title(Japanese) Title(English) Bibliography Bibliography(Japanese) Bibliography(English) Publication date Refereed paper Language Publishing type Disclose
Kaho Nakatani, Masahiro Higashi, Ryoichi Fukuda, Hirofumi Sato Kaho Nakatani, Masahiro Higashi, Ryoichi Fukuda, Hirofumi Sato 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 An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine Journal of Computational Chemistry Journal of Computational Chemistry Journal of Computational Chemistry 2021/06/10 Research paper(scientific journal) Disclose to all
Minami Kimura, Tadashi Ito, Hirofumi Sato, Masahiro Higashi Minami Kimura, Tadashi Ito, Hirofumi Sato, Masahiro Higashi Minami Kimura, Tadashi Ito, Hirofumi Sato, Masahiro Higashi Theoretical study on isomerization of α-acids: A DFT calculation Theoretical study on isomerization of α-acids: A DFT calculation Theoretical study on isomerization of α-acids: A DFT calculation Food Chemistry, 130418-130418 Food Chemistry, 130418-130418 Food Chemistry, 130418-130418 2021/06 Research paper(scientific journal) Disclose to all
Masahiro Higashi, Hirofumi Sato, Naoto Shibata, Suguru Takeno, Tetsuya Satoh, Masahiro Miura Masahiro Higashi, Hirofumi Sato, Naoto Shibata, Suguru Takeno, Tetsuya Satoh, Masahiro Miura Masahiro Higashi, Hirofumi Sato, Naoto Shibata, Suguru Takeno, Tetsuya Satoh, Masahiro Miura A Theoretical Study of Product Selectivity in Rhodium Catalyzed Oxidative Coupling Reaction Caused by the Solvation Effect A Theoretical Study of Product Selectivity in Rhodium Catalyzed Oxidative Coupling Reaction Caused by the Solvation Effect A Theoretical Study of Product Selectivity in Rhodium Catalyzed Oxidative Coupling Reaction Caused by the Solvation Effect HETEROCYCLES, 103, 2, 952-952 HETEROCYCLES, 103, 2, 952-952 HETEROCYCLES, 103, 2, 952-952 2021 Research paper(scientific journal) Disclose to all
Hiroshi Nakano, Masahiro Higashi, Hirofumi Sato Hiroshi Nakano, Masahiro Higashi, Hirofumi Sato Hiroshi Nakano, Masahiro Higashi, Hirofumi Sato Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems The Journal of Chemical Physics The Journal of Chemical Physics The Journal of Chemical Physics 2020/06/14 Research paper(scientific journal) Disclose to all
Kosuke Imamura, Takeshi Yamazaki, Daisuke Yokogawa, Masahiro Higashi, Hirofumi Sato Kosuke Imamura, Takeshi Yamazaki, Daisuke Yokogawa, Masahiro Higashi, Hirofumi Sato Kosuke Imamura, Takeshi Yamazaki, Daisuke Yokogawa, Masahiro Higashi, Hirofumi Sato Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution The Journal of Chemical Physics The Journal of Chemical Physics The Journal of Chemical Physics 2020/05/21 Research paper(scientific journal) Disclose to all
Shinji Saito, Masahiro Higashi, Graham R. Fleming Shinji Saito, Masahiro Higashi, Graham R. Fleming Shinji Saito, Masahiro Higashi, Graham R. Fleming Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna–Matthews–Olson Protein Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna–Matthews–Olson Protein Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna–Matthews–Olson Protein The Journal of Physical Chemistry B The Journal of Physical Chemistry B The Journal of Physical Chemistry B 2019/11/21 Research paper(scientific journal) Disclose to all
Daiki Kuraoku, Tsunaki Yonamine, Genta Koja, Norio Yoshida, Satoru Arimitsu, Masahiro Higashi Daiki Kuraoku, Tsunaki Yonamine, Genta Koja, Norio Yoshida, Satoru Arimitsu, Masahiro Higashi Daiki Kuraoku, Tsunaki Yonamine, Genta Koja, Norio Yoshida, Satoru Arimitsu, Masahiro Higashi Effects of Water Addition on a Catalytic Fluorination of Dienamine Effects of Water Addition on a Catalytic Fluorination of Dienamine Effects of Water Addition on a Catalytic Fluorination of Dienamine Molecules, 24, 19, 3428 Molecules, 24, 19, 3428 Molecules, 24, 19, 3428 2019/09 English Research paper(scientific journal) Disclose to all
Hermawan I, Higa M, Hutabarat PUB, Fujiwara T, Akiyama K, Kanamoto A, Haruyama T, Kobayashi N, Higashi M, Suda S, Tanaka J Hermawan I, Higa M, Hutabarat PUB, Fujiwara T, Akiyama K, Kanamoto A, Haruyama T, Kobayashi N, Higashi M, Suda S, Tanaka J Hermawan I, Higa M, Hutabarat PUB, Fujiwara T, Akiyama K, Kanamoto A, Haruyama T, Kobayashi N, Higashi M, Suda S, Tanaka J Kabirimine, a New Cyclic Imine from an Okinawan Dinoflagellate. Kabirimine, a New Cyclic Imine from an Okinawan Dinoflagellate. Kabirimine, a New Cyclic Imine from an Okinawan Dinoflagellate. Marine drugs, 17, 6, 353/1-9 Marine drugs, 17, 6, 353/1-9 Marine drugs, 17, 6, 353/1-9 2019/06 Refereed English Research paper(scientific journal) Disclose to all
Kimura Tetsunari, Lorenz-Fonfria Victor A, Douki Shintaro, Motoki Hideyoshi, Ishitani Ryuichiro, Nureki Osamu, Higashi Masahiro, Furutani Yuji Kimura Tetsunari, Lorenz-Fonfria Victor A, Douki Shintaro, Motoki Hideyoshi, Ishitani Ryuichiro, Nureki Osamu, Higashi Masahiro, Furutani Yuji Kimura Tetsunari, Lorenz-Fonfria Victor A, Douki Shintaro, Motoki Hideyoshi, Ishitani Ryuichiro, Nureki Osamu, Higashi Masahiro, Furutani Yuji Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE JOURNAL OF PHYSICAL CHEMISTRY B, 122, 42, 9681-9696 JOURNAL OF PHYSICAL CHEMISTRY B, 122, 42, 9681-9696 JOURNAL OF PHYSICAL CHEMISTRY B, 122, 42, 9681-9696 2018/10/25 Refereed English Research paper(scientific journal) Disclose to all
Fujihashi, Yuta, Higashi, Masahiro, Ishizaki, Akihito Fujihashi, Yuta, Higashi, Masahiro, Ishizaki, Akihito Fujihashi, Yuta, Higashi, Masahiro, Ishizaki, Akihito Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9, 17, 4921-4929 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9, 17, 4921-4929 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9, 17, 4921-4929 2018/09 Refereed English Research paper(scientific journal) Disclose to all
Masaki Okuda, Masahiro Higashi, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Masaki Okuda, Masahiro Higashi, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Masaki Okuda, Masahiro Higashi, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water Chemical Physics, 512, 82-87 Chemical Physics, 512, 82-87 Chemical Physics, 512, 82-87 2018/08 Refereed Disclose to all
Sone Junji, Uematsu Kouta, Matsufuji Yuuki, Oshima Masato, Yamada Katsumi, Higashi Masahiro Sone Junji, Uematsu Kouta, Matsufuji Yuuki, Oshima Masato, Yamada Katsumi, Higashi Masahiro Sone Junji, Uematsu Kouta, Matsufuji Yuuki, Oshima Masato, Yamada Katsumi, Higashi Masahiro Analysis of Gas Phase Reaction Pathways for InN Metal Organic Vapor Phase Epitaxy Analysis of Gas Phase Reaction Pathways for InN Metal Organic Vapor Phase Epitaxy Analysis of Gas Phase Reaction Pathways for InN Metal Organic Vapor Phase Epitaxy JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 51, 7, 605-608 JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 51, 7, 605-608 JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, 51, 7, 605-608 2018/07 Refereed English Research paper(scientific journal) Disclose to all
Hisashi Okumura, Masahiro Higashi, Yuichiro Yoshida, Hirofumi Sato, Ryo Akiyama Hisashi Okumura, Masahiro Higashi, Yuichiro Yoshida, Hirofumi Sato, Ryo Akiyama Hisashi Okumura, Masahiro Higashi, Yuichiro Yoshida, Hirofumi Sato, Ryo Akiyama Theoretical approaches for dynamical ordering of biomolecular systems Theoretical approaches for dynamical ordering of biomolecular systems Theoretical approaches for dynamical ordering of biomolecular systems Biochimica et Biophysica Acta - General Subjects, 1862, 2, 212-228 Biochimica et Biophysica Acta - General Subjects, 1862, 2, 212-228 Biochimica et Biophysica Acta - General Subjects, 1862, 2, 212-228 2018/02/01 Refereed English Disclose to all
Norio Yoshida, Masahiro Higashi, Hideyoshi Motoki, Shun Hirota Norio Yoshida, Masahiro Higashi, Hideyoshi Motoki, Shun Hirota Norio Yoshida, Masahiro Higashi, Hideyoshi Motoki, Shun Hirota Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach Journal of Chemical Physics, 148, 2, 025102/1-7 Journal of Chemical Physics, 148, 2, 025102/1-7 Journal of Chemical Physics, 148, 2, 025102/1-7 2018/01/14 Refereed English Research paper(scientific journal) Disclose to all
Hisao Tsukamoto, Masahiro Higashi, Hideyoshi Motoki, Hiroki Watanabe, Christian Ganser, Koichi Nakajo, Yoshihiro Kubo, Takayuki Uchihashi, Yuji Furutani Hisao Tsukamoto, Masahiro Higashi, Hideyoshi Motoki, Hiroki Watanabe, Christian Ganser, Koichi Nakajo, Yoshihiro Kubo, Takayuki Uchihashi, Yuji Furutani Hisao Tsukamoto, Masahiro Higashi, Hideyoshi Motoki, Hiroki Watanabe, Christian Ganser, Koichi Nakajo, Yoshihiro Kubo, Takayuki Uchihashi, Yuji Furutani Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel Journal of Biological Chemistry, 293, 18, 6969-6984 Journal of Biological Chemistry, 293, 18, 6969-6984 Journal of Biological Chemistry, 293, 18, 6969-6984 2018 Refereed English Research paper(scientific journal) Disclose to all
Hisao Tsukamoto, Masahiro Higashi, Hideyoshi Motoki, Hiroki Watanabe, Christian Ganser, Koichi Nakajo, Yoshihiro Kubo, Takayuki Uchihashi, Yuji Furutani Hisao Tsukamoto, Masahiro Higashi, Hideyoshi Motoki, Hiroki Watanabe, Christian Ganser, Koichi Nakajo, Yoshihiro Kubo, Takayuki Uchihashi, Yuji Furutani Hisao Tsukamoto, Masahiro Higashi, Hideyoshi Motoki, Hiroki Watanabe, Christian Ganser, Koichi Nakajo, Yoshihiro Kubo, Takayuki Uchihashi, Yuji Furutani Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel Journal of Biological Chemistry, 293, 18, 6969-6984 Journal of Biological Chemistry, 293, 18, 6969-6984 Journal of Biological Chemistry, 293, 18, 6969-6984 2018 Refereed English Research paper(scientific journal) Disclose to all
Motoki Hideyoshi, Yoshida Norio, Hirota Shun, Higashi Masahiro Motoki Hideyoshi, Yoshida Norio, Hirota Shun, Higashi Masahiro Motoki Hideyoshi, Yoshida Norio, Hirota Shun, Higashi Masahiro Theoretical Study on Oligomerization of Cytochrome c Theoretical Study on Oligomerization of Cytochrome c Theoretical Study on Oligomerization of Cytochrome c JOURNAL OF COMPUTER CHEMISTRY-JAPAN, 17, 1, 8-13 JOURNAL OF COMPUTER CHEMISTRY-JAPAN, 17, 1, 8-13 JOURNAL OF COMPUTER CHEMISTRY-JAPAN, 17, 1, 8-13 2018 Refereed English Research paper(scientific journal) Disclose to all
Masaki Okuda, Masahiro Higashi, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Masaki Okuda, Masahiro Higashi, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Masaki Okuda, Masahiro Higashi, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation CHEMICAL PHYSICS LETTERS, 683, 547-552 CHEMICAL PHYSICS LETTERS, 683, 547-552 CHEMICAL PHYSICS LETTERS, 683, 547-552 2017/09 Refereed English Research paper(scientific journal) Disclose to all
Peni Ahmadi, Masahiro Higashi, Nicole J. de Voogd, Junichi Tanaka Peni Ahmadi, Masahiro Higashi, Nicole J. de Voogd, Junichi Tanaka Peni Ahmadi, Masahiro Higashi, Nicole J. de Voogd, Junichi Tanaka Two Furanosesterterpenoids from the Sponge Luffariella variabilis Two Furanosesterterpenoids from the Sponge Luffariella variabilis Two Furanosesterterpenoids from the Sponge Luffariella variabilis MARINE DRUGS, 15, 8, 249/1-8 MARINE DRUGS, 15, 8, 249/1-8 MARINE DRUGS, 15, 8, 249/1-8 2017/08 Refereed English Research paper(scientific journal) Disclose to all
Asaka Agena, Satoru Iuchi, Masahiro Higashi Asaka Agena, Satoru Iuchi, Masahiro Higashi Asaka Agena, Satoru Iuchi, Masahiro Higashi Theoretical study on photoexcitation dynamics of a bis-diimine Cu(I) complex in solutions Theoretical study on photoexcitation dynamics of a bis-diimine Cu(I) complex in solutions Theoretical study on photoexcitation dynamics of a bis-diimine Cu(I) complex in solutions CHEMICAL PHYSICS LETTERS, 679, 60-65 CHEMICAL PHYSICS LETTERS, 679, 60-65 CHEMICAL PHYSICS LETTERS, 679, 60-65 2017/07 Refereed English Research paper(scientific journal) Disclose to all
Satoru Arimitsu, Tsunaki Yonamine, Masahiro Higashi Satoru Arimitsu, Tsunaki Yonamine, Masahiro Higashi Satoru Arimitsu, Tsunaki Yonamine, Masahiro Higashi Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric alpha-Fluorination of alpha-Branched Enals Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric alpha-Fluorination of alpha-Branched Enals Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric alpha-Fluorination of alpha-Branched Enals ACS CATALYSIS, 7, 7, 4736-4740 ACS CATALYSIS, 7, 7, 4736-4740 ACS CATALYSIS, 7, 7, 4736-4740 2017/07 Refereed English Research paper(scientific journal) Disclose to all
Idam Hermawan, Atsushi Furuta, Masahiro Higashi, Yoshihisa Fujita, Nobuyoshi Akimitsu, Atsuya Yamashita, Kohji Moriishi, Satoshi Tsuneda, Hidenori Tani, Masamichi Nakakoshi, Masayoshi Tsubuki, Yuji Sekiguchi, Naohiro Noda, Junichi Tanaka Idam Hermawan, Atsushi Furuta, Masahiro Higashi, Yoshihisa Fujita, Nobuyoshi Akimitsu, Atsuya Yamashita, Kohji Moriishi, Satoshi Tsuneda, Hidenori Tani, Masamichi Nakakoshi, Masayoshi Tsubuki, Yuji Sekiguchi, Naohiro Noda, Junichi Tanaka Idam Hermawan, Atsushi Furuta, Masahiro Higashi, Yoshihisa Fujita, Nobuyoshi Akimitsu, Atsuya Yamashita, Kohji Moriishi, Satoshi Tsuneda, Hidenori Tani, Masamichi Nakakoshi, Masayoshi Tsubuki, Yuji Sekiguchi, Naohiro Noda, Junichi Tanaka Four Aromatic Sulfates with an Inhibitory Effect against HCV NS3 Helicase from the Crinoid Alloeocomatella polycladia Four Aromatic Sulfates with an Inhibitory Effect against HCV NS3 Helicase from the Crinoid Alloeocomatella polycladia Four Aromatic Sulfates with an Inhibitory Effect against HCV NS3 Helicase from the Crinoid Alloeocomatella polycladia MARINE DRUGS, 15, 4, 117/1-10 MARINE DRUGS, 15, 4, 117/1-10 MARINE DRUGS, 15, 4, 117/1-10 2017/04 Refereed English Research paper(scientific journal) Disclose to all
Shigehiko Hayashi, Yoshihiro Uchida, Taisuke Hasegawa, Masahiro Higashi, Takahiro Kosugi, Motoshi Kamiya Shigehiko Hayashi, Yoshihiro Uchida, Taisuke Hasegawa, Masahiro Higashi, Takahiro Kosugi, Motoshi Kamiya Shigehiko Hayashi, Yoshihiro Uchida, Taisuke Hasegawa, Masahiro Higashi, Takahiro Kosugi, Motoshi Kamiya QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 68, 68, 135-154 ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 68, 68, 135-154 ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 68, 68, 135-154 2017 Refereed English Disclose to all
Shoichi Tanimoto, Masahiro Higashi, Norio Yoshida, Haruyuki Nakano Shoichi Tanimoto, Masahiro Higashi, Norio Yoshida, Haruyuki Nakano Shoichi Tanimoto, Masahiro Higashi, Norio Yoshida, Haruyuki Nakano The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study JOURNAL OF PHYSICS-CONDENSED MATTER, 28, 34, 344005/1-8 JOURNAL OF PHYSICS-CONDENSED MATTER, 28, 34, 344005/1-8 JOURNAL OF PHYSICS-CONDENSED MATTER, 28, 34, 344005/1-8 2016/09 Refereed English Research paper(scientific journal) Disclose to all
Yoshiki Toma, Masataka Kunigami, K-jiro Watanabe, Masahiro Higashi, Satoru Arimitsu Yoshiki Toma, Masataka Kunigami, K-jiro Watanabe, Masahiro Higashi, Satoru Arimitsu Yoshiki Toma, Masataka Kunigami, K-jiro Watanabe, Masahiro Higashi, Satoru Arimitsu One-pot synthesis and theoretical calculation for trifluoromethylated pyrrolizidines by 1,3-dipolar cycloaddition with azomethine ylides and beta-trifluoromethyl acrylamides One-pot synthesis and theoretical calculation for trifluoromethylated pyrrolizidines by 1,3-dipolar cycloaddition with azomethine ylides and beta-trifluoromethyl acrylamides One-pot synthesis and theoretical calculation for trifluoromethylated pyrrolizidines by 1,3-dipolar cycloaddition with azomethine ylides and beta-trifluoromethyl acrylamides JOURNAL OF FLUORINE CHEMISTRY, 189, 22-32 JOURNAL OF FLUORINE CHEMISTRY, 189, 22-32 JOURNAL OF FLUORINE CHEMISTRY, 189, 22-32 2016/09 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Shinji Saito Masahiro Higashi, Shinji Saito Masahiro Higashi, Shinji Saito Quantitative Evaluation of Site Energies and Their Fluctuations of Pigments in the Fenna-Matthews-Olson Complex with an Efficient Method for Generating a Potential Energy Surface Quantitative Evaluation of Site Energies and Their Fluctuations of Pigments in the Fenna-Matthews-Olson Complex with an Efficient Method for Generating a Potential Energy Surface Quantitative Evaluation of Site Energies and Their Fluctuations of Pigments in the Fenna-Matthews-Olson Complex with an Efficient Method for Generating a Potential Energy Surface JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12, 8, 4128-4137 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12, 8, 4128-4137 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 12, 8, 4128-4137 2016/08 Refereed English Research paper(scientific journal) Disclose to all
K-jiro Watanabe, Naoki Nakatani, Akira Nakayama, Masahiro Higashi, Jun-ya Hasegawa K-jiro Watanabe, Naoki Nakatani, Akira Nakayama, Masahiro Higashi, Jun-ya Hasegawa K-jiro Watanabe, Naoki Nakatani, Akira Nakayama, Masahiro Higashi, Jun-ya Hasegawa Spin-Blocking Effect in CO and H-2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point Spin-Blocking Effect in CO and H-2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point Spin-Blocking Effect in CO and H-2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point INORGANIC CHEMISTRY, 55, 16, 8082-8090 INORGANIC CHEMISTRY, 55, 16, 8082-8090 INORGANIC CHEMISTRY, 55, 16, 8082-8090 2016/08 Refereed English Research paper(scientific journal) Disclose to all
Novriyandi Hanif, Anggia Murni, Marie Yamauchi, Masahiro Higashi, Junichi Tanaka Novriyandi Hanif, Anggia Murni, Marie Yamauchi, Masahiro Higashi, Junichi Tanaka Novriyandi Hanif, Anggia Murni, Marie Yamauchi, Masahiro Higashi, Junichi Tanaka A New Trinor-guaiane Sesquiterpene from an Indonesian Soft Coral Anthelia sp. A New Trinor-guaiane Sesquiterpene from an Indonesian Soft Coral Anthelia sp. A New Trinor-guaiane Sesquiterpene from an Indonesian Soft Coral Anthelia sp. NATURAL PRODUCT COMMUNICATIONS, 10, 11, 1907-1910 NATURAL PRODUCT COMMUNICATIONS, 10, 11, 1907-1910 NATURAL PRODUCT COMMUNICATIONS, 10, 11, 1907-1910 2015/11 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Takahiro Kosugi, Shigehiko Hayashi, Shinji Saito Masahiro Higashi, Takahiro Kosugi, Shigehiko Hayashi, Shinji Saito Masahiro Higashi, Takahiro Kosugi, Shigehiko Hayashi, Shinji Saito Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment JOURNAL OF PHYSICAL CHEMISTRY B, 118, 37, 10906-10918 JOURNAL OF PHYSICAL CHEMISTRY B, 118, 37, 10906-10918 JOURNAL OF PHYSICAL CHEMISTRY B, 118, 37, 10906-10918 2014/09 Refereed English Research paper(scientific journal) Disclose to all
Tao Yu, Masahiro Higashi, Alessandro Cembran, Jiali Gao, Donald G. Truhlar Tao Yu, Masahiro Higashi, Alessandro Cembran, Jiali Gao, Donald G. Truhlar Tao Yu, Masahiro Higashi, Alessandro Cembran, Jiali Gao, Donald G. Truhlar Concerted Hydrogen Atom and Electron Transfer Mechanism for Catalysis by Lysine-Specific Demethylase Concerted Hydrogen Atom and Electron Transfer Mechanism for Catalysis by Lysine-Specific Demethylase Concerted Hydrogen Atom and Electron Transfer Mechanism for Catalysis by Lysine-Specific Demethylase JOURNAL OF PHYSICAL CHEMISTRY B, 117, 28, 8422-8429 JOURNAL OF PHYSICAL CHEMISTRY B, 117, 28, 8422-8429 JOURNAL OF PHYSICAL CHEMISTRY B, 117, 28, 8422-8429 2013/07 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Satori Hirai, Motohiro Banno, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Masahiro Higashi, Satori Hirai, Motohiro Banno, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Masahiro Higashi, Satori Hirai, Motohiro Banno, Kaoru Ohta, Shinji Saito, Keisuke Tominaga Theoretical and Experimental Studies on Vibrational Energy Relaxation of the CO Stretching Mode of Acetone in Alcohol Solutions Theoretical and Experimental Studies on Vibrational Energy Relaxation of the CO Stretching Mode of Acetone in Alcohol Solutions Theoretical and Experimental Studies on Vibrational Energy Relaxation of the CO Stretching Mode of Acetone in Alcohol Solutions JOURNAL OF PHYSICAL CHEMISTRY B, 117, 16, 4723-4731 JOURNAL OF PHYSICAL CHEMISTRY B, 117, 16, 4723-4731 JOURNAL OF PHYSICAL CHEMISTRY B, 117, 16, 4723-4731 2013/04 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Shinji Saito Masahiro Higashi, Shinji Saito Masahiro Higashi, Shinji Saito Direct Simulation of Excited-State Intramolecular Proton Transfer and Vibrational Coherence of 10-Hydroxybenzo[h]quinoline in Solution Direct Simulation of Excited-State Intramolecular Proton Transfer and Vibrational Coherence of 10-Hydroxybenzo[h]quinoline in Solution Direct Simulation of Excited-State Intramolecular Proton Transfer and Vibrational Coherence of 10-Hydroxybenzo[h]quinoline in Solution JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2, 18, 2366-2371 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2, 18, 2366-2371 JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2, 18, 2366-2371 2011/09 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Donald G. Truhlar Masahiro Higashi, Donald G. Truhlar Masahiro Higashi, Donald G. Truhlar Efficient Approach to Reactive Molecular Dynamics with Accurate Forces Efficient Approach to Reactive Molecular Dynamics with Accurate Forces Efficient Approach to Reactive Molecular Dynamics with Accurate Forces JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 5, 11, 2925-2929 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 5, 11, 2925-2929 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 5, 11, 2925-2929 2009/11 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Donald G. Truhlar Masahiro Higashi, Donald G. Truhlar Masahiro Higashi, Donald G. Truhlar Combined electrostatically embedded multiconfiguration molecular mechanics and molecular mechanical method: Application to molecular dynamics simulation of a chemical reaction in aqueous solution with hybrid density functional theory Combined electrostatically embedded multiconfiguration molecular mechanics and molecular mechanical method: Application to molecular dynamics simulation of a chemical reaction in aqueous solution with hybrid density functional theory Combined electrostatically embedded multiconfiguration molecular mechanics and molecular mechanical method: Application to molecular dynamics simulation of a chemical reaction in aqueous solution with hybrid density functional theory JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4, 7, 1032-1039 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4, 7, 1032-1039 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4, 7, 1032-1039 2008/07 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Donald G. Truhlar Masahiro Higashi, Donald G. Truhlar Masahiro Higashi, Donald G. Truhlar Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4, 5, 790-803 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4, 5, 790-803 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 4, 5, 790-803 2008/05 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution JOURNAL OF CHEMICAL PHYSICS, 126, 14, 144503/1-10 JOURNAL OF CHEMICAL PHYSICS, 126, 14, 144503/1-10 JOURNAL OF CHEMICAL PHYSICS, 126, 14, 144503/1-10 2007/04 Refereed English Research paper(scientific journal) Disclose to all
Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase CHEMICAL PHYSICS LETTERS, 437, 4-6, 293-297 CHEMICAL PHYSICS LETTERS, 437, 4-6, 293-297 CHEMICAL PHYSICS LETTERS, 437, 4-6, 293-297 2007/04 Refereed English Research paper(scientific journal) Disclose to all
M Higashi, S Kato Higashi M, Kato S M Higashi, S Kato Theoretical study on electronic and spin structures of [Fe2S2](2+,+) cluster: Reference interaction site model self-consistent field (RISM-SCF) and multireference second-order Moller-Plesset perturbation theory (MRMP) approach Theoretical study on electronic and spin structures of [Fe2S2](2+,+) cluster: reference interaction site model self-consistent field (RISM-SCF) and multireference second-order Møller-Plesset perturbation theory (MRMP) approach. Theoretical study on electronic and spin structures of [Fe2S2](2+,+) cluster: Reference interaction site model self-consistent field (RISM-SCF) and multireference second-order Moller-Plesset perturbation theory (MRMP) approach JOURNAL OF PHYSICAL CHEMISTRY A, 109, 43, 9867-9874 The journal of physical chemistry. A, 109, 43, 9867-9874 JOURNAL OF PHYSICAL CHEMISTRY A, 109, 43, 9867-9874 2005/11 Refereed English Research paper(scientific journal) Disclose to all

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Title language:
External funds: competitive funds and Grants-in-Aid for Scientific Research (Kakenhi)
Type Position Title(Japanese) Title(English) Period
基盤研究(C) Representative 光合成系における光エネルギー伝達機構の理論的解明 (2019年度分) 2019/04/01-2020/03/31
基盤研究(C) Representative 銅錯体における光励起ダイナミクスの反応機構及び制御法の解明 (2019年度分) 2019/04/01-2020/03/31
新学術領域研究(研究領域提案型) Representative 混合溶媒中におけるハイブリッド触媒反応の分子論的機構解明 (2019年度分) 2019/04/01-2020/03/31
基盤研究(C) Representative 光合成系における光エネルギー伝達機構の理論的解明 (2020年度分) 2020/04/01-2021/03/31
新学術領域研究(研究領域提案型) Representative 反応環境に着目したハイブリッド触媒反応の分子論的機構解明 (2020年度分) 2020/04/01-2021/03/31
新学術領域研究(研究領域提案型) Representative 天然および人工光捕集アンテナ系における光エネルギー伝達機構の理論的解明 (2020年度分) 2020/04/01-2021/03/31
基盤研究(C) Representative 銅錯体における光励起ダイナミクスの反応機構及び制御法の解明 (2020年度分) 2020/04/01-2021/03/31
学術変革領域研究(A) Representative 動的エキシトンの理論 (2020年度分) 2020/04/01-2021/03/31
Teaching subject(s)
Name(Japanese) Name(English) Term Department Period
物理化学II(工業基礎化学) Physical Chemistry II (Fundamental Chemistry) 前期 工学部 2019/04-2020/03
量子化学I Quantum Chemistry I 前期 工学研究科 2019/04-2020/03
ILASセミナー:理論化学入門 ILAS Seminar :Introduction to theoretical chemistry 前期 全学共通科目 2020/04-2021/03
物理化学II(工業基礎化学)[工化1・工化3] Physical Chemistry II (Fundamental Chemistry) 前期 工学部 2020/04-2021/03
物理化学II(工業基礎化学)[工化2・工化4] Physical Chemistry II (Fundamental Chemistry) 前期 工学部 2020/04-2021/03
量子化学Ⅱ Quantum Chemistry II 前期 工学研究科 2020/04-2021/03
ILASセミナー:理論化学入門 ILAS Seminar :Introduction to theoretical chemistry 前期 全学共通科目 2021/04-2022/03
分子機能と複合・集積機能 Molecular Function and Composite-Assembly Function 前期 工学研究科 2021/04-2022/03
物理化学II(先端化学)[工化1・工化3] Physical Chemistry II (Advanced Chemistry) 前期 工学部 2021/04-2022/03
物理化学II(先端化学)[工化2・工化4] Physical Chemistry II (Advanced Chemistry) 前期 工学部 2021/04-2022/03
量子化学I Quantum Chemistry I 前期 工学研究科 2021/04-2022/03

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Faculty management (title, position)
Title Period
工学研究科・工学部図書委員会 委員 2021/04/01-2022/03/31
Other activities (public organizations)
Committee(Japanese) Committee(English) Title Organization name Period
文部科学省 学術調査官 2019/08/01-2021/07/31