Calculations on the energy of the possible isomers of HC2N revealed that the triangular 'A' state was lowest lying at I .3 kcall mol below the bent 'A" state which is theoretically lower than the linear 'I-state. The geometries were determined by the secondorder Mtiller-Plesset (MP2) perturbation me
The lowest state of HC2N: potentiality of triangular singlet 1A
โ Scribed by T. Hirano; N. Nakagawa; A. Murakami; O. Nomura
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 30 KB
- Volume
- 165
- Category
- Article
- ISSN
- 0009-2614
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