Journal of Computer Chemistry, Japan
Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767
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SCCJ Cafe –Season 3– Theoretical Chemistry in Nordic (3) "Quintuple Bond and Effective Bond Order (EBO)"
Michiko ATSUMI
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2013 Volume 12 Issue 3 Pages A22-A24

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Abstract

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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© 2013 Society of Computer Chemistry, Japan
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