Title: Ab initio calculation of distortion and bonding energy components of the cis-trans conversion energy for formic, thiolformic and thionformic acids
Abstract: Abstract The energy change in the formation of the intramolecular hydrogen-bonded ring conformers of formic, thiolformic and thionformic acids from the chain conformers has been divided up into distortion and bonding energy components, following the treatment of Smit, Derissen, and van Duijneveldt for the formation of the formic acid dimer.
Publication Year: 1981
Publication Date: 1981-05-01
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 13
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