2 0 0 0 OA 多極子展開法による電子密度分布解析と化学結合の評価
- 著者
- 橋爪 大輔
- 出版者
- 日本結晶学会
- 雑誌
- 日本結晶学会誌 (ISSN:03694585)
- 巻号頁・発行日
- vol.56, no.5, pp.313-318, 2014-10-31 (Released:2014-10-31)
- 参考文献数
- 7
- 被引用文献数
- 4
Multipole expansion method is frequently used for refinements on electron density distribution of organic compound and metal complex crystals aiming at understanding nature of chemical bonds and intra- and inter-molecular interactions. In this article, short introduction of the method, and procedures on experiments and refinements are presented. Electron density distribution analysis of a singlet biradical compound generated in C-P-C-P four-membered ring is also presented. Topological analysis based on Atoms in Molecules theory is performed.
1 0 0 0 OA 有機結晶のリートベルト法による構造精密化
- 著者
- 橋爪 大輔
- 出版者
- 日本結晶学会
- 雑誌
- 日本結晶学会誌 (ISSN:03694585)
- 巻号頁・発行日
- vol.53, no.5, pp.299-306, 2011-10-31 (Released:2011-11-20)
- 参考文献数
- 27
Rietveld method has been widely used for structure refinements as a part of SDPD studies. In this account, practical tips on structure refinements of organic crystal are presented.