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Theoretical study of the barriers to internal rotation in nitrous acid

โœ Scribed by Maurice E. Schwartz; Edward F. Hayes; Stephen Rothenberg


Publisher
Springer
Year
1970
Tongue
English
Weight
186 KB
Volume
19
Category
Article
ISSN
1432-2234

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Study of the electronic structure of mol
โœ E. Clementi; H. Popkie ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 319 KB

The barrier to internal rotation for the 0" angle (using Olson and Flory's notation) in the ngar-phosphate-mgar complex, CloH IgOaP, has been obtained from ab initio computations. The barrier height at 0" = 60" is 4.5 kcalimole, a: 0" = 180" is 3.3 k&/mole and at 9" = 310" is 7.5 kcal/mole. The corr