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
SCF calculation of the structure, force field, and dipole function of cyanoacetylene
β Scribed by Thomas A. Holme; John S. Hutchinson
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 555 KB
- Volume
- 93
- Category
- Article
- ISSN
- 0301-0104
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