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Calculations of molecular octopole moments for water and methane

✍ Scribed by Thomas J. Swissler; Robert Rein

Publisher: Elsevier Science
Year: 1972
Tongue: English
Weight: 246 KB
Volume: 15
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(72)80388-9

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✦ Synopsis

Molecular octopole moments are rigorously calculated using two different semi,empirical wavefunctions. The resuits are compared with ab initio calculations and experimental data where available. IEHT wavefunctions are found to give a reasonable representation of multipole moments up to octopole.

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