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Ab Initio Calculations of the Potential Surfaces for the Lowest Singlet and Triplet States of 2,2-Difluorocyclopentane-1,3-diyl. The singlet Diradical Lies Below the Triplet

✍ Scribed by Xu, Jing Dong; Hrovat, David A.; Borden, Weston Thatcher

Book ID
126937235
Publisher
American Chemical Society
Year
1994
Tongue
English
Weight
391 KB
Volume
116
Category
Article
ISSN
0002-7863

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πŸ“œ SIMILAR VOLUMES

Ab initio calculations on the lowest sin
Ab initio calculations on the lowest singlet and triplet surfaces for CSiF2
✍ A.C. Hopkinson; M.H. Lien; I.C. Csizmadia πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 442 KB

Ab initio motecufar orbital cakulations on isomers with the molecular formula CSiFz arc reported at the 3-21G//3-21G and 6-3 lG\*//3-21G ievefs of theory for both the sir&et and triplet energy surfaces wd the results are compared wit11 those for the CSifia surfzrces.