The quartic force fields of the \(\mathrm{H}_{2} \mathrm{~S}, \mathrm{CS}_{2}, \mathrm{OCS}\), and \(\mathrm{CS}\) molecules have been computed using the \(\operatorname{CCSD}(\mathrm{T})\) augmented coupled cluster method and \(s p d f\) and spdfg basis sets. Neglect of core correlation results in
The Anharmonic Force Field of Thioformaldehyde, H2CS, by ab Initio Methods
β Scribed by J.M.L. Martin; J.P. Francois; R. Gijbels
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 518 KB
- Volume
- 168
- Category
- Article
- ISSN
- 0022-2852
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