On the floating basis set model for studying the vibronic interaction in polyatomic molecules
β Scribed by Jai Singh; O.E. Polansky
- Publisher
- Elsevier Science
- Year
- 1976
- Tongue
- English
- Weight
- 345 KB
- Volume
- 44
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
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## Abstract We present an exhaustive study of more than 250 __ab initio__ potential energy surfaces (PESs) of the model dipeptide HCOβLβAlaβNH~2~. The model chemistries (MCs) investigated are constructed as homoβ and heterolevels involving possibly different RHF and MP2 calculations for the geometr