Dipole moment derivatives from MINDO/3 semi-empirical MO calculations

Pandey, P. K. K. ; Chandra, P. ; Prasad, P. L. ; Singh, Surjit (1977) Dipole moment derivatives from MINDO/3 semi-empirical MO calculations Chemical Physics Letters, 49 (2). pp. 353-356. ISSN 0009-2614

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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...

Related URL: http://dx.doi.org/10.1016/0009-2614(77)80604-0

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.

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