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Type: Artigo de periódico
Title: The Theoretical Calculation Of Polar Tensors And Dipole Moment Derivatives: Bf3 And Bcl3
Author: Bruns R.E.
Bassi A.B.M.S.
Abstract: The experimental and CNDO polar tensors for BF3 and BCl 3 are reported. To satisfy charge and symmetry restrictions the importance of the calculation of limiting values for theoretical polar tensor elements is demonstrated. A convenient method to transform polar tensor elements to ∂p/∂Qi values is presented. The atomic effective charges, mean dipole moment derivatives, and anisotropics of BF3 and BCl3 are reported and discussed. Copyright © 1976 American Institute of Physics.
Rights: aberto
Identifier DOI: 
Date Issue: 1976
Appears in Collections:Unicamp - Artigos e Outros Documentos

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