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Steric and electronic contributions to barriers of internal rotation in 1,8-dibenzoylnaphthalenes

✍ Scribed by Heinz A. Staab; Ching-Sung Chi; Janusz Dabrowski


Publisher
Elsevier Science
Year
1982
Tongue
French
Weight
600 KB
Volume
38
Category
Article
ISSN
0040-4020

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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