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Hydrogen bond: Second order effects on potentials calculated by CNDO/2 method

✍ Scribed by O. Tapia; A. Nogales; P. Campano


Book ID
103014156
Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
550 KB
Volume
24
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES


Hydrogen bond. Environmental effects on
✍ O. Tapia; E. Poulain; F. Sussman πŸ“‚ Article πŸ“… 1975 πŸ› Elsevier Science 🌐 English βš– 590 KB

A solvent and/or environmental effect has been introduced into the MO CND0/2 calculation af a model hydrogen bonded system. Proton potential curves, potential energy, dipole moments, the polvizability component parallel to the reaction field, and the second order perturbation effects associated to t