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Journal of Computer Chemistry, Japan
Vol. 12 (2013) No. 3 p. A22-A24

記事言語:

http://doi.org/10.2477/jccj.2013-0020

ハイライト

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.

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