Faculty of Design Technology
Department of Information Systems Engineering


TAKANE Shin-ya


  1. 大阪大学基礎工学部 文部技官(教務職員) 1992/04/01-1993/03/31

Academic background

  1. Osaka University Faculty of Engineering Science 化学工学 1987
  2. Osaka University Graduate School, Division of Engineering Science 化学系 Doctor course 1992

Academic degrees

  1. 博士(工学)

Research Areas

  1. Computational Chemistry

Research keywords

  1. Computational Chemistry
  2. Molecular Informatics
  3. educational support system for chemistry

Subject of research

  1. Computational Study on the Dynamical Mechanisms and the Rates of Chemical Reactions chemical reaction,rate
  2. 分子情報科学 分子モデリング、構造匂い相関


  1. Research paper (scientific journal) Joint Decarboxylation and simultaneous reduction of silver(I) β-ketocarboxylates with three types of coordinations Dalton Transactions (The Royal Society of Chemistry) 44, 8993-9003 2015/04 10.1039/c5dt00773a
  2. (MISC) Prompt report, short report, and research note, etc. (scientific journal) Joint ChemIME: An Input Method for Chemical Compounds Lecture Notes in Operations Research 11, 402-409 2009/09
  3. Joint A structure-odour relationship study using EVA descriptors and hierarchical clustering Organic and Biomolecular Chemistry vol.2/ No.22, 3250-3255 2004/11
  4. Research paper (scientific journal) Joint MICS:Molecular Information Communication System-化学者のための仮想研究室の構築に関する研究- JCPE Journal 12/ 1, 57-62 2000
  5. (MISC) Introduction and explanation (bulletin of university, research institution) Ab Initio Study of the Reaction Mechanism of Atomic Cobalt with Methane 大阪産業大学論集 109号 2000/03

Research presentations

  1. Poster presentation CSimulator: Development of an Educational Support Tool for Chemical Experiments 2016 International Conference of East-Asian Association for Science Education 2016/08/26
  2. Poster presentation CSimulator: A Chemical Educational Support Tool for Smart Devices The 6th Network for Inter-Asian Chemistry Educators (NICE) Conference 2015/07/29
  3. Poster presentation A computational study of the dimeric structure of silver(I) β-ketocarboxylates 16th European Seminar on Computational Methods in Quantum Chemistry (ESCMQC 2014) 2014/09/11
  4. Poster presentation Development of chemical educational support tools on iOS devices International Conference on Chemistry Education 2014 (ICCE 2014) 2014/07/17
  5. Poster presentation Cassandraを用いた分子情報データベースの開発 日本化学会第94春季年会 2014/03/29

Memberships of academic societies

  1. 日本化学会