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Complexes with hydrogen bonds by the MNDO/M method

✍ Scribed by A. A. Bliznyuk; A. A. Voityuk

Publisher
SP MAIK Nauka/Interperiodica
Year
1988
Tongue
English
Weight
474 KB
Volume
29
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

Semiempirical study of compounds with in
Semiempirical study of compounds with intramolecular OH…O hydrogen bonds. II. Further verification of a modified MNDO method
✍ JesΓΊs RodrΓ­guez πŸ“‚ Article πŸ“… 1994 πŸ› John Wiley and Sons 🌐 English βš– 502 KB

## Abstract In the forerunner of this article, we described a MNDO modification designed for studies of compounds with intramolecular Oο£ΏH…︁O hydrogen bonds. Here, we report the further verification of the modification by means of its application to 14 compounds not considered in its development. Co

An examination of intermolecular and int
An examination of intermolecular and intramolecular hydrogen bonding in biomolecules by AM1 and MNDO/M semiempirical molecular orbital studies
✍ Maged Khalil; Robert J. Woods; Donald F. Weaver; Vedene H. Smith Jr. πŸ“‚ Article πŸ“… 1991 πŸ› John Wiley and Sons 🌐 English βš– 908 KB

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