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Theoretical Study on Some Nitroresorcinols: Intramolecular Hydrogen Bonding

โœ Scribed by Chung, Gyusung; Kwon, Ohyun; Kwon, Younghi

Book ID
126245837
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
157 KB
Volume
101
Category
Article
ISSN
1089-5639

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Theoretical study of some nitriles: Intr
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โœ Berta Fernรกndez; Saulo A. Vรกzquez; Miguel A. Rรญos ๐Ÿ“‚ Article ๐Ÿ“… 1992 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 492 KB

## Abstract An __ab initio__ study of 3โ€chloroโ€, 3โ€hydroxyโ€, 3โ€mercaptoโ€, and 3โ€aminoโ€propanenitrile and 4โ€chloroโ€buโ€ tanenitrile was carried out at several levels of theory. The calculated stabilities and geometrical trends are interpreted in terms of the effects of intramolecular hydrogen bonds a