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Type: Artigo de periódico
Title: An Application Of The Virial Theorem To Study Ah2 Structures Ii. Use Of Cndo/2 Wavefunctions
Author: Custodio R.
Takahata Y.
Abstract: The simple form for the virial theorem for polyatomic molecules takes the form W=-Σti where ti is an orbital kinetic energy. It is applied to study shapes of molecules of AH2 type. Kinetic-energy-versus-angle diagrams are constructed with CNDO/2 wavefunctions that satisfy the virial theorem. The shapes of the molecules can be explained with the aid of the diagrams. © 1985 Springer-Verlag.
Editor: Springer-Verlag
Rights: fechado
Identifier DOI: 10.1007/BF00530091
Date Issue: 1985
Appears in Collections:Unicamp - Artigos e Outros Documentos

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