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Calculated inversion barrier of AsF3

✍ Scribed by Dennis S. Marynick

Publisher: Elsevier Science
Year: 1980
Tongue: English
Weight: 283 KB
Volume: 71
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(80)85298-5

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✦ Synopsis

The tnverslon barner of AsF3 has been calculated usmg SCF theory wth a moderately large basu set of Slater type orbltals, mcIudmg poIarlzation functions on the central atom. The caIcu!ated barner is = 1 I2 kcal/mole. The highest occupied molecular orbnal m planar AsF3 IS shown to have A; symmetry, rather than A; symmetry typical for molecules of this type.

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