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Theoretical study of the dipole moment of oxygen monofluoride (OF)

✍ Scribed by Stephen R. Langhoff; Charles W. Bauschlicher Jr.; Harry Partridge

Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
625 KB
Volume
102
Category
Article
ISSN
0009-2614

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✦ Synopsis

Theoretical S 2~1 potentkls and dipole moment functions for OF are presented at the CASSCF, externally contracted Cl. and JlRCI(SD) levels using DZP and extended gaussian basis sets. The best theoretical results (with experiment in parentheses) are pu =O = -0.0089 (-0.0033) and ,uv=l = -0-0318 (-0.0267) D, where the minus sign implies O%-_ '96

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