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Dipole moment derivatives from MINDO/3 semi-empirical MO calculations
Date Issued
15-07-1977
Author(s)
Pandey, P. K.K.
Chandra, P.
Prasad, P. L.
Singh, Surjit
Abstract
Dipole moment derivatives for CO, NO, CO2, H2O, HCN, BF3, CH4, C2H4, C2H6, CH3F, F2CO and H2CO molecules have been evaluated using MINDO/3 MO calculations. The values are compared with those obtained by other semi-empirical MO methods. © 1977.
Volume
49