The quartic force fields of BHs and BeH, have been computed ab initio using an augmented coupled cluster (CCSD(T) ) method and basis sets of spdf and spdfg quality. For BH,, the computed spectroscopic constauts are in very good agreement with recent experimental data, and definitively confirm misass
An Accurate ab Initio Quartic Force Field for Formaldehyde and Its Isotopomers
β Scribed by J.M.L. Martin; T.J. Lee; P.R. Taylor
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 619 KB
- Volume
- 160
- Category
- Article
- ISSN
- 0022-2852
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