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
An ab initio prediction of structures and vibrational frequencies of high-energy rotamers of glyoxal and acrolein
β Scribed by Ch.W. Bock; Yu.N. Panchenko; S.V. Krasnoshchiokov
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 870 KB
- Volume
- 125
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
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