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The influence of substituents on the carbonyl stretching frequency; CNDO/2 force constant and localized orbital calculations

โœ Scribed by G. Van Der Plaats; W.M.A. Smit


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
571 KB
Volume
36
Category
Article
ISSN
0022-2860

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๐Ÿ“œ SIMILAR VOLUMES


An ab initio study of the influence of s
โœ Charles W. Bock; Mendel Trachtman; Philip George ๐Ÿ“‚ Article ๐Ÿ“… 1981 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 597 KB

The C=O bond length and fc=o,c=o, the corresponding harmonic stretching force constant, are calculated ab initio using the 4-31G basis set (augmented by polarization functions on the sulfur and chlorine) with full geometry optimization for the monosubstituted carbonyl compounds RCHO, where R = H, CH