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Internal rotation in isolated molecules of monochloroacetic acid

โœ Scribed by L. I. Kozhevina; V. M. Belobrov; V. A. Panichkina; E. V. Titov


Publisher
SP MAIK Nauka/Interperiodica
Year
1979
Tongue
English
Weight
602 KB
Volume
20
Category
Article
ISSN
0022-4766

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๐Ÿ“œ SIMILAR VOLUMES


Internal rotation in nitric acid
โœ B.J. Van der Veken; G.H. Pieters; M.A. Herman; J.R. Durig ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 214 KB
Internal rotation in conjugated molecule
โœ Martin Head-Gordon; John A. Pople ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 476 KB

Calculations of the barrier and associated one-dimensional torsional potential are reported for internal rotation of the nitro group in nitroethylene and nitrobenzene. In these conjugated molecules, inclusion of electron correlation is shown to be necessary for reliable barrier predictions, in contr