Hydrogen bond studies. 71. Ab initio cal
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Jan Almlöf
📂
Article
📅
1972
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Elsevier Science
🌐
English
⚖ 359 KB
MO LCAO SW calcnlations have been performed to invcstigatc the molecular structure and vibrational spectrum of the bifluoridc ion in its normal and deuterated form. The potential energy for nuclear motions has been evaluated = 3 function of the molecular degrees of freedom. tnkhg only iincnr gcometr