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Electron distribution on an intramolecular hydrogen bond: A semiempirical AM1 study

✍ Scribed by Peter Ertl; Otto Exner

Publisher
Springer
Year
1992
Tongue
English
Weight
401 KB
Volume
3
Category
Article
ISSN
1040-0400

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The recent NMDO/M modification and parameterization of the MNDO molecular orbital method has been used to analyze intermolecular hydrogen bonding between amino acids and water, and intramolecular hydrogen bonding in monosaccharides. The results have been compared to AM1 calculations on the same syst