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Internal rotation of paraffinic chains in an anisotropic environment

✍ Scribed by Tomáš Bleha; Ján Gajdoš; Jozef Šebek


Book ID
119116607
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
802 KB
Volume
139
Category
Article
ISSN
0166-1280

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Study of the electronic structure of mol
✍ E. Clementi; H. Popkie 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 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