Ab initio potential energy surfaces for N\*O, calculated with the CCSD (T) method using [4s, 3p, 2p, 1 f] and [ Ss, 4p, 2d, If] AN0 basis sets are reported. The predicted equilibrium geometry, force constants and harmonic frequencies are in gaod agreement with experiment. The calculated band origina
Potential energy surfaces and vibrational spectra for isotopomers of N2O
β Scribed by Hui Xian; Daiqian Xie; Guosen Yan
- Publisher
- SP Science China Press
- Year
- 1998
- Tongue
- English
- Weight
- 285 KB
- Volume
- 41
- Category
- Article
- ISSN
- 1674-7291
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