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Calculation of the dipole moments of nitroalkanes in the MO LCAO approximation

✍ Scribed by N. P. Borisova; L. P. Bokacheva

Publisher: SP MAIK Nauka/Interperiodica
Year: 1970
Tongue: English
Weight: 202 KB
Volume: 11
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00743912

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## Abstract In this paper we obtain formulae useful in methods for the direct minimization of the energy functional in the LCAO‐MO‐MC‐SCF approach. The formulae are appropriate for dealing with variations in both the linear and nonlinear parameters. We include formulae for the usual closed‐ and ope