𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Potential-energy surfaces in singlet and triplet silylene

✍ Scribed by Mark S. Gordon

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
403 KB
Volume
114
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

✦ Synopsis

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_r IS prc-drLrcd 10 bc 17.7 kCJl/llwl. Jnd Ihc curves arc prcdlctcd lo cross ~1 = 129" Thus, bulky subslitucm, may open the Jngh? in rhc sln:AcI rulli~lcnrlp lo Invert Ihr ordrrln? or the two s13tcs

πŸ“œ SIMILAR VOLUMES

Theoretical Characterization of Photoiso
Theoretical Characterization of Photoisomerization Channels of Dimethylpyridines on the Singlet and Triplet Potential Energy Surfaces
✍ Zexing Cao; Qianer Zhang; Sigrid D. Peyerimhoff πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 224 KB πŸ‘ 1 views

Photoexcitations and photoisomerizations due to low-lying np\* and pp\* excited states of dimethylpyridines are investigated by density functional theory, CASSCF, CASPT2 and MRCI methodologies. Mechanistic details for the formation of Dewar dimethylpyridines and the interconversions of dimethylpyrid

Harvesting Singlet and Triplet Energy in
Harvesting Singlet and Triplet Energy in Polymer LEDs
✍ Vicki Cleave; Goghan Yahioglu; Pierre Le Barny; Richard H. Friend; Nir Tessler πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 159 KB πŸ‘ 1 views
On the OCS2 Singlet potential energy sur
On the OCS2 Singlet potential energy surface
✍ Lars Carlsen πŸ“‚ Article πŸ“… 1982 πŸ› John Wiley and Sons 🌐 English βš– 417 KB

## Abstract The reaction between atomic oxygen and carbon disulfide is predicted to lead to at least two primary products, which are the dithiiranone (**1**) and the oxathiirane‐thione (**2**) and/or the carbon disulfide __S__‐oxide (**4**). The possible intramolecular equilibria **1** ⇄ **2, 1** ⇄