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Ab initio studies on proton transfer involving Schiff base and related nitrogen compounds

โœ Scribed by N. Sreerama; Saraswathi Vishveshwara


Book ID
107803141
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
469 KB
Volume
212
Category
Article
ISSN
0022-2860

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The proton-transfer barriers along the intramolecular hydrogen bond in a series of substituted salicylaldehyde anils were calculated using the AM1 SCF semiempirical method. The reliability of this method for the calculation of proton-transfer barriers was analyzed by the comparison of AM1 barriers f