Equation-of-motion coupled cluster calculations with singles and doubles (EOM-CCSD) and with noniterative inclusion of triples (EOM-CCSD(T)) have been carried out with the POLl basis set to investigate the excited states of CI-O-CI and CI-CI-O. Both isomers have five excited states with excitation e
An ab initio study of the NCl bond
✍ Scribed by Riccardo Destro; Felicita Merati; Emanuele Ortoleva
- Publisher
- Elsevier Science
- Year
- 1988
- Tongue
- English
- Weight
- 505 KB
- Volume
- 145
- Category
- Article
- ISSN
- 0009-2614
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