𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Singlet-triplet energy gaps in chlorine-substituted methylenes and silylenes

✍ Scribed by Shin, Seung Koo.; Goddard, William A.; Beauchamp, J. L.

Book ID
121437565
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
814 KB
Volume
94
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Singlet-triplet energy gap in methylene
Singlet-triplet energy gap in methylene using many-body methods
✍ Samuel J. Cole; George D. Purvis III; Rodney J. Bartlett πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 470 KB

## Many -body methods are applied to the singlet-triplet energy gap in :CHz in a variety of basis sets. The best result obtained with a coupledcluster method that includes effects of triple excitations is 10.1 kcal/mol in a basis set of 74 contxacted Gaussian orbit&. The best full fourth-order MBF

Potential-energy surfaces in singlet and
Potential-energy surfaces in singlet and triplet silylene
✍ Mark S. Gordon πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 403 KB

RcLclvcd 21 Novcmbcr 1984. xn lirul form 12 Dcccmbcr 1984 hlC SC-1 c;llcul~rwn\ w111~ 11x 6-3JG\*\* bJsls set, augmcntcd by scrondvrdcr configur~rron intcrdcllon. arc used to and-Iyrc rhc potcnll.llencrg) Lurwb In rhc loucbl slnflct .md lrlplct stales of SIII~. The JdldbdllL sm\_rkt -trlplel sphtlln