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How valence bond theory can help you understand your (bio)chemical reaction
- Source :
- Chemical Society Reviews, Chemical Society Reviews, 2015, 44 (5), pp.1037-1052. ⟨10.1039/c4cs00241e⟩, Chemical Society Reviews, Royal Society of Chemistry, 2015, 44 (5), pp.1037-1052. ⟨10.1039/c4cs00241e⟩
- Publication Year :
- 2015
- Publisher :
- Uppsala universitet, Struktur- och molekylärbiologi, 2015.
-
Abstract
- International audience; 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.
- Subjects :
- Scope (project management)
010405 organic chemistry
business.industry
Chemistry
[CHIM.ORGA]Chemical Sciences/Organic chemistry
Nobel prizes
Nanotechnology
Hydrogen Bonding
General Chemistry
Kemi
010402 general chemistry
01 natural sciences
0104 chemical sciences
3. Good health
Models, Chemical
Chemical Sciences
Quantum Theory
Valence bond theory
Computer Simulation
Software engineering
business
Subjects
Details
- Language :
- English
- ISSN :
- 03060012 and 14604744
- Database :
- OpenAIRE
- Journal :
- Chemical Society Reviews, Chemical Society Reviews, 2015, 44 (5), pp.1037-1052. ⟨10.1039/c4cs00241e⟩, Chemical Society Reviews, Royal Society of Chemistry, 2015, 44 (5), pp.1037-1052. ⟨10.1039/c4cs00241e⟩
- Accession number :
- edsair.doi.dedup.....943e604f08a3957ce5484fb3a1ea7e22