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Accurate magnetizabilities of the isoelectronic series BeH−, BH, and CH+. The MCSCF-GIAO approach

✍ Scribed by Kenneth Ruud; Trygve Helgaker; Keld L. Bak; Poul Jørgensen; Jeppe Olsen

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
801 KB
Volume
195
Category
Article
ISSN
0301-0104

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## Abstract __Ab initio__ molecular orbital theory with the STO‐3G basis set is used to examine both charge and energy interactions in a series of meta‐ and para‐substituted phenylborate anions and toluenes. Comparison of the results is made with data for substituted anilinium cations. It is conclu