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How valence bond theory can help you understand your (bio)chemical reaction
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structure and Molecular Biology. Uppsala University, Science for Life Laboratory, SciLifeLab.
Uppsala University, Disciplinary Domain of Science and Technology, Biology, Department of Cell and Molecular Biology, Structure and Molecular Biology. Uppsala University, Science for Life Laboratory, SciLifeLab.ORCID iD: 0000-0002-3190-1173
2015 (English)In: Chemical Society Reviews, ISSN 0306-0012, E-ISSN 1460-4744, Vol. 44, no 5, 1037-1052 p.Article, review/survey (Refereed) Published
Abstract [en]

Almost a century has passed since valence bond (VB) theory was originally introduced to explain covalent bonding in the H-2 molecule within a quantum mechanical framework. The past century has seen constant improvements in this theory, with no less than two distinct Nobel prizes based on work that is essentially developments in VB theory. Additionally, ongoing advances in both methodology and computational power have greatly expanded the scope of problems that VB theory can address. In this Tutorial Review, we aim to give the reader a solid understanding of the foundations of modern VB theory, using a didactic example of a model S(N)2 reaction to illustrate its immediate applications. This will be complemented by examples of challenging problems that at present can only be efficiently addressed by VB-based approaches. Finally, the ongoing importance of VB theory is demonstrated. It is concluded that VB will continue to be a major driving force for chemistry in the century to come.

Place, publisher, year, edition, pages
2015. Vol. 44, no 5, 1037-1052 p.
National Category
Chemical Sciences
Research subject
Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-251677DOI: 10.1039/c4cs00241eISI: 000350568000001PubMedID: 25352378OAI: oai:DiVA.org:uu-251677DiVA: diva2:807762
Available from: 2015-04-24 Created: 2015-04-23 Last updated: 2017-09-15Bibliographically approved

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Barrozo, AlexandreKamerlin, Shina Caroline Lynn

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