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Quantum mechanical approach to conformational analysis

✍ Scribed by Eilers, J. E.; Liberles, A.


Book ID
126220358
Publisher
American Chemical Society
Year
1975
Tongue
English
Weight
705 KB
Volume
97
Category
Article
ISSN
0002-7863

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Quantum mechanical approach to the confo
✍ Roald Hoffmann; Akira Imamura πŸ“‚ Article πŸ“… 1969 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 375 KB πŸ‘ 2 views

Molecular orbital calculations of the extended Hiickel type have been used to study the conformations of glycyl and alanyl residues in ground and excited states. The ground-state surfaces show features similar to those obtained with the standard calculational methods in which the total energy is par