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CNDO calculation of substitutent effects in CH acids on the energy of cleavage of a proton

✍ Scribed by G. A. Bogdanchikov; P. V. Schastnev

Book ID
112362875
Publisher
Springer
Year
1977
Tongue
English
Weight
225 KB
Volume
12
Category
Article
ISSN
0040-5760

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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