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Determination of ab initio force constants of F2O and H2O

✍ Scribed by D.S. Marynick; Ch.V.S. Ramachandra Rao

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 385 KB
Volume: 86
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)80211-x

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✦ Synopsis

Ab uutio SCF c3lculatlons at the 4-31C level wsrc performed to obldm the Pownthl surfwe of the ground states of r20 and Hz0 The 19-parameter quartic force field and Ihe spcc~roscop~c conskmts w, and x,, ~vrc obtrmed

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