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CAS SCF calculations of potential enregy curves for the BO− ion

✍ Scribed by A. Heiberg; J. Almlöf; A.V. Nemukhin

Publisher
Elsevier Science
Year
1982
Tongue
English
Weight
422 KB
Volume
88
Category
Article
ISSN
0009-2614

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✦ Synopsis

The oxoborate ion BO-has been investigated at Ihe MC SCF fevel of approximation. using an augmented double-zeta tx~.&-Potenti me3 have been calculated for the three lowest stales. The results are compared to those ohtamed for 80 in a previous, simhu study.

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