東 雅大

最終更新日時: 2019/07/05 18:06:50

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氏名(漢字/フリガナ/アルファベット表記)
東 雅大/ヒガシ マサヒロ/Higashi, Masahiro
所属部署・職名(部局/所属/講座等/職名)
工学研究科/分子工学専攻分子理論化学講座/准教授
取得学位
学位名(日本語) 学位名(英語) 大学(日本語) 大学(英語) 取得区分
修士(理学) 京都大学
博士(理学) 京都大学
researchmap URL
https://researchmap.jp/7000005804
論文
著者 著者(日本語) 著者(英語) タイトル タイトル(日本語) タイトル(英語) 書誌情報等 書誌情報等(日本語) 書誌情報等(英語) 出版年月 査読の有無 記述言語 掲載種別 公開
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 Marine drugs, 17, 6 Marine drugs, 17, 6 2019/06 公開
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 公開
Fujihashi Y, Higashi M, Ishizaki A Fujihashi Y, Higashi M, Ishizaki A Fujihashi Y, Higashi M, Ishizaki A 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. The journal of physical chemistry letters, 4921-4929 The journal of physical chemistry letters, 4921-4929 The journal of physical chemistry letters, 4921-4929 2018/08 公開
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 公開
Tsukamoto Hisao, Higashi Masahiro, Motoki Hideyoshi, Watanabe Hiroki, Ganser Christian, Nakajo Koichi, Kubo Yoshihiro, Uchihashi Takayuki, Furutani Yuji Tsukamoto Hisao, Higashi Masahiro, Motoki Hideyoshi, Watanabe Hiroki, Ganser Christian, Nakajo Koichi, Kubo Yoshihiro, Uchihashi Takayuki, Furutani Yuji Tsukamoto Hisao, Higashi Masahiro, Motoki Hideyoshi, Watanabe Hiroki, Ganser Christian, Nakajo Koichi, Kubo Yoshihiro, Uchihashi Takayuki, Furutani Yuji 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 2018/05/04 公開
Okumura Hisashi, Higashi Masahiro, Yoshida Yuichiro, Sato Hirofumi, Akiyama Ryo Okumura Hisashi, Higashi Masahiro, Yoshida Yuichiro, Sato Hirofumi, Akiyama Ryo Okumura Hisashi, Higashi Masahiro, Yoshida Yuichiro, Sato Hirofumi, Akiyama Ryo 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 公開
Yoshida Norio, Higashi Masahiro, Motoki Hideyoshi, Hirota Shun Yoshida Norio, Higashi Masahiro, Motoki Hideyoshi, Hirota Shun Yoshida Norio, Higashi Masahiro, Motoki Hideyoshi, Hirota Shun 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 JOURNAL OF CHEMICAL PHYSICS, 148, 2 JOURNAL OF CHEMICAL PHYSICS, 148, 2 2018/01/14 公開
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 公開
Okuda Masaki, Higashi Masahiro, Ohta Kaoru, Saito Shinji, Tominaga Keisuke Okuda Masaki, Higashi Masahiro, Ohta Kaoru, Saito Shinji, Tominaga Keisuke Okuda Masaki, Higashi Masahiro, Ohta Kaoru, Saito Shinji, Tominaga Keisuke 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 2017/09/01 公開
Ahmadi P, Higashi M, Voogd NJ, Tanaka J Ahmadi P, Higashi M, Voogd NJ, Tanaka J Ahmadi P, Higashi M, Voogd NJ, Tanaka J 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 Marine drugs, 15, 8 Marine drugs, 15, 8 2017/08 公開
Agena Asaka, Iuchi Satoru, Higashi Masahiro Agena Asaka, Iuchi Satoru, Higashi Masahiro Agena Asaka, Iuchi Satoru, Higashi Masahiro 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 2017/07/01 公開
Arimitsu Satoru, Yonamine Tsunaki, Higashi Masahiro Arimitsu Satoru, Yonamine Tsunaki, Higashi Masahiro Arimitsu Satoru, Yonamine Tsunaki, Higashi Masahiro 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 公開
Hermawan Idam, Furuta Atsushi, Higashi Masahiro, Fujita Yoshihisa, Akimitsu Nobuyoshi, Yamashita Atsuya, Moriishi Kohji, Tsuneda Satoshi, Tani Hidenori, Nakakoshi Masamichi, Tsubuki Masayoshi, Sekiguchi Yuji, Noda Naohiro, Tanaka Junichi Hermawan Idam, Furuta Atsushi, Higashi Masahiro, Fujita Yoshihisa, Akimitsu Nobuyoshi, Yamashita Atsuya, Moriishi Kohji, Tsuneda Satoshi, Tani Hidenori, Nakakoshi Masamichi, Tsubuki Masayoshi, Sekiguchi Yuji, Noda Naohiro, Tanaka Junichi Hermawan Idam, Furuta Atsushi, Higashi Masahiro, Fujita Yoshihisa, Akimitsu Nobuyoshi, Yamashita Atsuya, Moriishi Kohji, Tsuneda Satoshi, Tani Hidenori, Nakakoshi Masamichi, Tsubuki Masayoshi, Sekiguchi Yuji, Noda Naohiro, Tanaka Junichi 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 MARINE DRUGS, 15, 4 MARINE DRUGS, 15, 4 2017/04 公開
Hayashi Shigehiko, Uchida Yoshihiro, Hasegawa Taisuke, Higashi Masahiro, Kosugi Takahiro, Kamiya Motoshi Hayashi Shigehiko, Uchida Yoshihiro, Hasegawa Taisuke, Higashi Masahiro, Kosugi Takahiro, Kamiya Motoshi Hayashi Shigehiko, Uchida Yoshihiro, Hasegawa Taisuke, Higashi Masahiro, Kosugi Takahiro, Kamiya Motoshi 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 公開
Tanimoto Shoichi, Higashi Masahiro, Yoshida Norio, Nakano Haruyuki Tanimoto Shoichi, Higashi Masahiro, Yoshida Norio, Nakano Haruyuki Tanimoto Shoichi, Higashi Masahiro, Yoshida Norio, Nakano Haruyuki 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 JOURNAL OF PHYSICS-CONDENSED MATTER, 28, 34 JOURNAL OF PHYSICS-CONDENSED MATTER, 28, 34 2016/09/01 公開
Toma Yoshiki, Kunigami Masataka, Watanabe K-jiro, Higashi Masahiro, Arimitsu Satoru Toma Yoshiki, Kunigami Masataka, Watanabe K-jiro, Higashi Masahiro, Arimitsu Satoru Toma Yoshiki, Kunigami Masataka, Watanabe K-jiro, Higashi Masahiro, Arimitsu Satoru 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 公開
Watanabe K-jiro, Nakatani Naoki, Nakayama Akira, Higashi Masahiro, Hasegawa Jun-ya Watanabe K-jiro, Nakatani Naoki, Nakayama Akira, Higashi Masahiro, Hasegawa Jun-ya Watanabe K-jiro, Nakatani Naoki, Nakayama Akira, Higashi Masahiro, Hasegawa Jun-ya 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 2016/08/15 公開
Higashi Masahiro, Saito Shinji Higashi Masahiro, Saito Shinji Higashi Masahiro, Saito Shinji 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 公開
Hanif Novriyandi, Murni Anggia, Yamauchi Marie, Higashi Masahiro, Tanaka Junichi Hanif Novriyandi, Murni Anggia, Yamauchi Marie, Higashi Masahiro, Tanaka Junichi Hanif Novriyandi, Murni Anggia, Yamauchi Marie, Higashi Masahiro, Tanaka Junichi 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 公開
Higashi Masahiro, Kosugi Takahiro, Hayashi Shigehiko, Saito Shinji Higashi Masahiro, Kosugi Takahiro, Hayashi Shigehiko, Saito Shinji Higashi Masahiro, Kosugi Takahiro, Hayashi Shigehiko, Saito Shinji 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 2014/09/18 公開
Yu Tao, Higashi Masahiro, Cembran Alessandro, Gao Jiali, Truhlar Donald G. Yu Tao, Higashi Masahiro, Cembran Alessandro, Gao Jiali, Truhlar Donald G. Yu Tao, Higashi Masahiro, Cembran Alessandro, Gao Jiali, Truhlar Donald G. 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 2013/07/18 公開
Higashi Masahiro, Hirai Satori, Banno Motohiro, Ohta Kaoru, Saito Shinji, Tominaga Keisuke Higashi Masahiro, Hirai Satori, Banno Motohiro, Ohta Kaoru, Saito Shinji, Tominaga Keisuke Higashi Masahiro, Hirai Satori, Banno Motohiro, Ohta Kaoru, Saito Shinji, Tominaga Keisuke 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 2013/04/25 公開
Higashi Masahiro, Saito Shinji Higashi Masahiro, Saito Shinji Higashi Masahiro, Saito Shinji 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 2011/09/15 公開
Higashi Masahiro, Truhlar Donald G. Higashi Masahiro, Truhlar Donald G. Higashi Masahiro, Truhlar Donald G. 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 公開
Higashi Masahiro, Truhlar Donald G. Higashi Masahiro, Truhlar Donald G. Higashi Masahiro, Truhlar Donald G. 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 公開
Higashi Masahiro, Truhlar Donald G. Higashi Masahiro, Truhlar Donald G. Higashi Masahiro, Truhlar Donald G. 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 公開
Higashi Masahiro, Hayashi Shigehiko, Kato Shigeki Higashi Masahiro, Hayashi Shigehiko, Kato Shigeki Higashi Masahiro, Hayashi Shigehiko, Kato Shigeki 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 JOURNAL OF CHEMICAL PHYSICS, 126, 14 JOURNAL OF CHEMICAL PHYSICS, 126, 14 2007/04/14 公開
Higashi Masahiro, Hayashi Shigehiko, Kato Shigeki Higashi Masahiro, Hayashi Shigehiko, Kato Shigeki Higashi Masahiro, Hayashi Shigehiko, Kato Shigeki 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 2007/04/02 公開
Higashi M, Kato S Higashi M, Kato S Higashi M, Kato S 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 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 Møller-Plesset perturbation theory (MRMP) approach. The journal of physical chemistry. A, 109, 43, 9867-9874 The journal of physical chemistry. A, 109, 43, 9867-9874 The journal of physical chemistry. A, 109, 43, 9867-9874 2005/11 公開

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担当科目
講義名(日本語) 講義名(英語) 開講期 学部/研究科 年度
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