Literature DB >> 29244907

Pleading for a Dual Molecular-Orbital/Valence-Bond Culture.

Philippe C Hiberty1, Benoît Braïda2.   

Abstract

Electron pairs through the looking glass might well discover that they can show two faces, one delocalized or the other localized, and that both are perfectly correct. Going back and forth between these two representations, according to which one is the most relevant and insightful for the case at hand, is easy and essential to get a complete understanding of electronic structure.
© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Keywords:  bent bonds; hybridization; molecular orbital theory; valence bond theory

Year:  2018        PMID: 29244907     DOI: 10.1002/anie.201710094

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN: 1433-7851            Impact factor:   15.336


  2 in total

1.  How Do Local Reactivity Descriptors Shape the Potential Energy Surface Associated with Chemical Reactions? The Valence Bond Delocalization Perspective.

Authors:  Thijs Stuyver; Frank De Proft; Paul Geerlings; Sason Shaik
Journal:  J Am Chem Soc       Date:  2020-05-19       Impact factor: 15.419

2.  Electronic transitions of molecules: vibrating Lewis structures.

Authors:  Yu Liu; Philip Kilby; Terry J Frankcombe; Timothy W Schmidt
Journal:  Chem Sci       Date:  2019-06-11       Impact factor: 9.825

  2 in total

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