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Theoretical study of glyoxylic and pyruvic acids: rotamers and intramolecular hydrogen bonding

โœ Scribed by Cheng Chen; Shuang-Fuh Shyu


Book ID
114143838
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
173 KB
Volume
503
Category
Article
ISSN
0166-1280

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## 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