The dipole moment derivatives of nitrosyl cyanide— theoretical calculations and analysis
✍ Scribed by Mozart N. Ramos; B.B. Neto
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 471 KB
- Volume
- 140
- Category
- Article
- ISSN
- 0022-2860
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📜 SIMILAR VOLUMES
Many-body perturbation theory and coupled-cluster theory are used to determine the dipole moment, polarizabilities, and their derivatives with respect to internuclear separation for the CO molecule. There are sizable errors in the dipole moment and its derivative when evaluated in the MP4(SDTQ) appr
Using a gaussian Lobe basis set nearly cquivalcnt to the double-zeta Sl;lter type orbital basis set, the principal force constants and rhe derivatives of the electric dipole moment are nIcuIated. The force constants are found to be in scltisktory agreement with csperimentol