Foundations of Walsh’s rules for molecular shape
- 1 March 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (5) , 2973-2974
- https://doi.org/10.1063/1.441419
Abstract
Combining density functional theory with the form of the virial theorem established by Nelander for polyatomic molecules, the basic foundation of Walsh’s rules for molecular shape is clarified.Keywords
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