Using a large. balanced one-electron basis set. fully optimized reaclion space (FOFG) calculations LO optimize the orbitals and to estimate the inkrnal correlalion energy. multi-reference configuration interaclion calculations including all single and double excitations out of the FORS rere.rence sp
β¦ LIBER β¦
The Transition State of the F + H2 Reaction
β Scribed by Manolopoulos, D. E.; Stark, K.; Werner, H.-J.; Arnold, D. W.; Bradforth, S. E.; Neumark, D. M.
- Book ID
- 121153442
- Publisher
- American Association for the Advancement of Science
- Year
- 1993
- Tongue
- English
- Weight
- 214 KB
- Volume
- 262
- Category
- Article
- ISSN
- 0036-8075
No coin nor oath required. For personal study only.
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