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Implications of the fluorescence for the conformational analysis of polymeric profisetinidins and procyanidins

โœ Scribed by Carin A. Helfer; Joo-Sang Sun; Mark A. Matties; Wayne L. Mattice; Richard W. Hemingway; Jan P. Steynberg; Lisa A. Kelly


Publisher
Springer
Year
1995
Tongue
English
Weight
357 KB
Volume
34
Category
Article
ISSN
0170-0839

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Conformational analysis of 2,3,6,7-tetra
โœ Ibon Alkorta; Hugo O. Villar; Raul E. Cachau ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 649 KB

A cbnformational study of the 2,3,6,7-tetrahydroazepine (THA) and closely related systems has been carried out using MM3 and CHARMm molecular mechanics, AM1 semiempirical, as well as Hartree-Fock and local density functional (LDF) ab initio methods. For THA, all methods give similar optimal geometri