Rchr
J-GLOBAL ID：200901058669081096
Update date: Feb. 27, 2024
Nakano Haruyuki
ナカノ ハルユキ | Nakano Haruyuki
Affiliation and department：
Job title：
Professor
Research field (1)：
Basic physical chemistry
Research keywords (2)：
物理化学
, Physical Chemistry
Research theme for competitive and other funds (22)：
- 2019 - 2023 Development of electron transfer dynamics theory of biological systems highly incorporating solvent response
- 2015 - 2018 Development of heteroarene-fused and pi-expanded diazaporphyrins as n-type semiconductors
- 2013 - 2016 Theoretical study on the charge transfer through DNA induced by structural and solvent fluctuation
- 2013 - 2016 Construction of Phosphole-Containing Hybrid pi-Conjugated Molecules and Their Application to Organic Devices
- 2013 - 2015 Creation of core-modified azaporphyrins and their application to organic solar cells
- 2007 - 2007 クラスター内多重プロトン移動ダイナミクスの分光学的研究
- 2006 - 2007 Spectroscopic study on excitonic interactions in hydrogen-bonded dusters in the gas phase
- 2003 - 2005 The development of accurate electronic structure theory for large systems and its application to interface systems
- 2004 - 2004 電子状態理論と統計理論の融合による柔らかい分子系の理論化学
- 2001 - 2002 次世代分子理論の開発
- 2000 - 2002 The development of quantitative molecular orbital theory for mesoscopic systems and its application to the initial chemical process of vision
- 1999 - 2001 Development of Molecular Theory for Molecular Design and Reaction Control
- 1998 - 2000 Development of ab initio molecular orbital program for large-scale molecular systems
- 1997 - 1998 Theoretical Study on the Photoreactions of Biological Compounds
- 1997 - 1997 固体表面での吸着反応に関する理論的研究
- 1996 - 1997 Time-dependent Approach in Theoretical Chemistry
- 1995 - 1997 Development of parallel ab initio molecular orbital program package
- 1996 - 1996 Pt表面でのNO吸着特性と直接分解反応に関する理論的研究
- 1996 - 1996 希土類錯体の電子状態や結合に関与するf-電子の役割りの理論的解明
- 1995 - 1995 Pt表面でのNO吸着特性と直接分解反応に関する理論的研究
- 1995 - 1995 希土類錯体の電子状態や結合に関与するf-電子の役割りの理論的解明
- 1994 - 1994 遷移金属錯体などの凝縮退系へも適用できる分子理論の開発
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Papers (134)：
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Nobuki Inoue, Yoshihiro Watanabe, Haruyuki Nakano. Generalized Foldy-Wouthuysen transformation for relativistic two-component methods: Systematic analysis of two-component Hamiltonians. Journal of Computational Chemistry. 2024
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Ippei Tsuzuki, Nobuki Inoue, Yoshihiro Watanabe, Haruyuki Nakano. Two-component transformation inclusive contraction scheme in the relativistic molecular orbital theory. Chemical Physics Letters. 2024
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Hiroya Suzuki, Ko Furukawa, Mao Minoura, Haruyuki Nakano, Yoshihiro Matano. Improved Synthesis of Free Bases of 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoid for Conversion to Silicon(IV) Complexes. Bulletin of the Chemical Society of Japan. 2023
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Ryo Fujiki, Toru Matsui, Yasuteru Shigeta, Norio Yoshida, Haruyuki Nakano. Assessment of the Applicability of the LFC/3D-RISM-SCF Scheme for pKa Prediction in Methanol Solutions. Chemistry Letters. 2023
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Yuta Kudoh, Emi Suzuki, Hikari Ochiai, Kakeru Ise, Yoshifumi Kimura, Mao Minoura, Haruyuki Nakano, Yoshihiro Matano. Synthesis, Structure, and Redox and Optical Properties of 5,10,15,20-Tetraaryl-5-azaporphyrinium Salts. Chemistry - A European Journal. 2023. e202302148
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MISC (2)：
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Hisako Sato, Akihiko Yamagishi, Jun Yoshida, Haruyuki Nakano, Naomi Hoshino. A microscopic model for helical twisting power by the optical isomers of an octahedral metal complex. Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers. 2005. 44. 6 A. 4067-4072
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Yanai, T., Nakano, H., Nakajima, T., Tsuneda, T., Hirata, S., Kawashima, Y., Nakao, Y., Kamiya, M., Sekino, H., Hirao, K. UTChem - A program for ab initio quantum chemistry. Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 2003. 2660. 84-95
Books (13)：
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基礎化学結合論(基幹教育シリーズ化学)第2版
学術図書出版社 2015
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錯体化学会選書10「金属錯体の量子・計算化学」
学術図書出版社 2014
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計算科学講座6「分子システムの計算科学-電子と原子の織り成す多体系のシミュレーション-」
共立出版,東京 2010
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Study on chemical reactivity control of liquid sodium - Development of nano-fluid and its property, and applicability to FBR plant
2008
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Multireference Perturbation Theory with Four-Component General Multiconfigurational Reference Functions
Recent Progress in Computational Sciences and Engineering, Lecture Notes on Computer and Computational Sciences, Vol. 7, edited by T. Simons and G. Maroulis (Brill Academic Publishers, Leiden 2006
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Lectures and oral presentations (6)：
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A Theoretical Study on the Electronic Structure of Oligoacenes
(The 1st CMD International Symposium in Seoul 2008)
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New implementation of quasidegenerate perturbation theory with general multiconfiguration reference functions (GMC-QDPT)
(Practicing Chemistry with Theoretical Tools 2007)
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Relativistic multireference perturbation theory with four-component general multiconfiguration reference functions
(International Conference for Computational Method for Science and Engineering 2006)
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String product space SCF method and second order perturbation theory
(The American Chemical Society National Meeting 2003)
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Quasi-Degenerate Perturbation Theory with General MC-SCF Reference Functions and its Application to Excitation Spectra
(Frontiers of Theoretical Chemistry: Theory and Applications 2001)
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Education (2)：
- 1987 - 1992 Kyoto University Graduate School of Science Division of Chemistry
- 1983 - 1987 Kyoto University Faculty of Science
Professional career (1)：
- Doctor of Science (Kyoto University)
Work history (6)：
Committee career (1)：
- 2021/03 - 2022/02 日本化学会 九州支部・支部長
Association Membership(s) (2)：
Japan Society for Molecular Science
, Japanese Chemical Society
