Development of ConfDatMaker Software for Generating the Conformers of Metal Complexes

• SAKIYAMA Hiroshi

  Department of Science, Faculty of Science, Yamagata University, Kojirakawa 1-4-12, Yamagata 990-8560, Japan

抄録

ConfDatMaker software was developed for the purpose of generating the conformers of metal complexes. The software builds structures by symmetry operation of the inputted ligand coordinates, on the basis of the prepared enumeration results. A series of generated structures are useful for the conformational analysis.

収録刊行物

• Journal of Computer Chemistry, Japan -International Edition

  Journal of Computer Chemistry, Japan -International Edition 4 (0), n/a-, 2018

  日本コンピュータ化学会

キーワード

• Conformer
• Metal complex
• Symmetry operation
• Enumeration
• ConfDatMaker software

詳細情報

• CRID: 1390845713035316352
• NII論文ID: 130007552771
• DOI: 10.2477/jccjie.2018-0013
• ISSN: 2189048X
• Web Site: https://www.jstage.jst.go.jp/article/jccjie/4/0/4_2018-0013/_pdf
• 本文言語コード: en
• データソース種別:
  • JaLC
  • Crossref
  • CiNii Articles
  • KAKEN
• 抄録ライセンスフラグ: 使用不可