Rchr
J-GLOBAL ID：200901081066057648   Update date: Apr. 06, 2024

Shigemitsu Yasuhiro

シゲミツ ヤスヒロ | Shigemitsu Yasuhiro
Affiliation and department：
Industrial Technology Center of Nagasaki

About Industrial Technology Center of Nagasaki


Job title： Researcher
Other affiliations (1)：
Research field  (4)： Structural/physical organic chemistry ,  Basic physical chemistry ,  Chemical reaction and process system engineering ,  Bio-, chemical, and soft-matter physics
Research keywords  (5)： 計算化学 ,  化学反応論 ,  溶液化学 ,  有機機能性材料 ,  有機光化学
Research theme for competitive and other funds  (12)：
  • 2020 - 2023 水素結合ネットワーク分子集積体の非平衡ダイナミクス
  • 2019 - 2022 Control of the crytal structure and analyses of the emission mechanism of heterocyclic compounds based on the distorted conformation of their hydrogen-bonding ring
  • 2017 - 2020 Experimental and computational studies of solvent dynamics in organic liquid-phase reactions
  • 2016 - 2019 Library construction and luminescence property analysis of the pi-electronic molecules exhibiting polymorph-dependent luminescence
  • 2015 - 2018 Development of lamellarin type axially chiral molecules aiming at the creation of selective kinase inhibitors
Show all
Papers (41)：
  • Ryo Koibuchi, Isao Yoshikawa, Yasuhiro Shigemitsu, Hirohiko Houjou. Comprehensive Computational Analysis of the Polymorph-Dependent Chromism of N-Salicylideneaniline Using a Cluster Model of Molecular Crystals. Crystal Growth & Design. 2024
  • Yasuhiro Shigemitsu, Yasuhisa Nishimura, Masayori Hagimori. Absorption and fluorescence spectra of new pyrrolo[3,4-b]quinolizines in condensed phases: A joint experimental and computational study. Journal of Heterocyclic Chemistry. 2023
  • Yasuhiro Shigemitsu, Tatsuya Muramatsu, Toshiki Mutai. Computational Investigation on ESIPT-driven Luminescence of Imidazo [1,2-a]pyridine Derivatives Regulated by Inter/Intramolecular Hydrogen bonding. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY. 2021. 409
  • Yasuhiro Shigemitsu, Yasuhi Ohga. Numerical Analysis of Solute-Solvent Coupling Magnitude in the Thermally Backward Ring Closing Reaction of Spirooxazines. JOURNAL OF SOLUTION CHEMISTRY. 2020. 49. 7-8. 902-914
  • Masayori Hagimori, Yasuhisa Nishimura, Naoko Hagimori (Mizuyama, Yasuhiro Shigemitsu. Synthesis, photophysical evaluation, and computational study of 2-methoxy- and 2-morpholino pyridine compounds as highly emissive fluorophores in solution and the solid state. Dyes and Pigments. 2019. 171
ｍore...
Books (1)：
  • 有機エレクトロニクスの展開 最新開発状況と実用化への課題
    情報機構 2007
Lectures and oral presentations  (8)：
  • 溶液内反応の理論モデルと解析事例 ~酵素触媒反応・電子移動反応・高圧反応: TST近似と多次元性
    (有機反応機構研究会2016 2016)
  • DJ-1をターゲットとする精密インシリコデザイン:MM-PBSA法とFMO法の適用
    (北海道大学ファーマサイエンスフォーラム 2012)
  • Trends and Recent Advances in Theoretical Molecular Design of Functional Dyes
    (International workshop on bilateral academic exchange program between Nagasaki University and Tamkamg University 2008)
  • 有機紫外線吸収剤探索の新手法 CS-INDO-CIPSI法による光吸収特性の精密評価
    (資生堂サイエンス研究グラント成果発表会 2005)
  • ケテンジチオアセタールから誘導される新規ヘテロ環化合物の電子状態計算
    (九州大学先導物質化学研究所講演会 2005)
ｍore...
Education (3)：
  • 1992 - 1995 Kyushu Institute of Technology
  • 1990 - 1991 東京大学大学院 工学系研究科
  • 1988 - 1989 The University of Tokyo The Faculty of Engineering
Professional career (1)：
  • Dr. of Engineering (University of Tokyo)
Work history (5)：
  • 2018 - 現在 Nagasaki University Graduate school of Engineering
  • 2016 - 現在 The University of Tokyo Institute of Industrial Science
  • 1996 - 現在 Industrial Technology Center of Nagasaki
  • 2006 - 2017 Nagasaki University Graduate school of Engineering
  • 1998 - 1999 Research Associate, Department of Chemistry, University of Southern Denmark
Association Membership(s) (4)：
近畿化学協会 ,  日本コンピューター化学会 ,  American Chemical Society ,  日本化学会
※ Researcher’s information displayed in J-GLOBAL is based on the information registered in researchmap. For details, see here.

Return to Previous Page

TOP

BOTTOM