configuration interaction calculation of the inversion barrier in ammonia. using an edended Slater-type basis set and including all singly and doubly excited configurations relative to the SCF confif;liration, indicates that as much as half the barrier may be due to correlation effects.
Ab initio calculation of the inversion barrier in the trichloromethyl radical
✍ Scribed by Jerzy Moc; Jerzy M. Rudziński; Zdzisław Latajka; Henryk Ratajczak
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 404 KB
- Volume
- 168
- Category
- Article
- ISSN
- 0009-2614
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