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

✍ Scribed by P.K.K. Pandey; P. Chandra; P.L. Prasad; Surjit Singh

• Book ID: 103020827
• Publisher: Elsevier Science
• Year: 1977
• Tongue: English
• Weight: 357 KB
• Volume: 49
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(77)80604-0

✦ Synopsis

Dipole moment derivatives for CO, NO, CO2, H20, HCN, EiF3. CH4, CzH4, C2H6, CH3F. TzCO and HzCO molecules have been evaluated using hlIND0/3 MO calculations. The values-are compared with those obtained by other semi-empirical MO methods.