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Theoretical investigation of conformations lability of the tocopherol molecule

✍ Scribed by I. L. Shamovskii; I. Yu. Yarovskaya


Book ID
112401678
Publisher
Springer
Year
1990
Tongue
English
Weight
401 KB
Volume
24
Category
Article
ISSN
0091-150X

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Theoretical investigation of the cyclic
✍ Shingkuo Shih; Robert J. Buenker; Sigrid D. Peyerimhoff πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 868 KB

Ab initio SCF and CI calculations xc reported which find the cyclic conformer of czone to Iic 16 kczl/mole above the preferred (open-chain) form of this substance. Polarization functions ir! the A0 basis set are found to be quite important in this dctcrmination, strongly favorin g the cyclic species