We report ab initio calculations of the minima and transition states of the HCN ~ HNC isomerization in the X(P~) and A(/~') electronic states, and the A-X transition moment in the neighborhood of the HNC isomer. The HNC(A) potential is fit to a fourth-order Simons-Parr-Finlan force field, and the nu
The ground state of rose systems with HNC and BBGKY equations
✍ Scribed by R.A. Smith; A. Kallio; M. Puoskari; P. Toropainen
- Publisher
- Elsevier Science
- Year
- 1979
- Tongue
- English
- Weight
- 870 KB
- Volume
- 328
- Category
- Article
- ISSN
- 0375-9474
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