Journal of Computer Chemistry, Japan
ハイライト
SCCJ Cafe –Season 3– 北欧の理論化学 (3) 「Quintuple Bond と Effective Bond Order (EBO)」
渥美 裕子
著者情報
ジャーナル フリー

12 巻 (2013) 3 号 p. A22-A24

詳細
PDFをダウンロード (782K) 発行機関連絡先
抄録

In 2005 Gagliardi and Roos found the quintuple bond in uranium molecule using computational chemistry. It consists of three strong electron-pair bonds, two fully developed one-electron bonds, two weak one-electron bonds, and two localized electrons. Moreover, in a subsequent paper, Roos et al. defined the effective bond order (EBO) which gives a quantitative measure of the chemical bonding based on molecular orbitals. In this paper, the culture of quantum chemistry and life in Sweden are also briefly touched upon.

著者関連情報
© 2013 日本コンピュータ化学会
前の記事 次の記事

閲覧履歴
feedback
Top