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Ab initio calculation of distortion and bonding energy components of the cis-trans conversion energy for formic, thiolformic and thionformic acids

✍ Scribed by Philip George; Charles W. Bock; Ann Schmiedekamp

Book ID: 103020349
Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 352 KB
Volume: 80
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80072-3

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✦ Synopsis

The energy change in the formation of the intramoIecular hydrogen-bonded ring conformers of formic, thiolformic and thionformic acids from the chain conformers has been divided up into distortion and bonding energy componen?s, following the treatment of Smit, Derissen, and van Duhneveldt for the formation of the formic acid dimer.

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