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Singlet−Triplet Energy Separation of Cyclobutylidene

✍ Scribed by Stracener, Louise L.; Halter, Robert J.; McMahon, Robert J.; Castro, Claire; Karney, William L.

Book ID
126158752
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
199 KB
Volume
65
Category
Article
ISSN
0022-3263

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✍ O.P. Strausz; M.A. Robb; G. Theodorakopoulos; P.G. Mezey; I.G. Csizmadia 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 327 KB

The total energy and the conformationol hypetsutfacc of the lowest singlet and triplet states of s&ethylene, C.!2SiH2 have been studied using ab initio SCF MO calculations with unrestricted and restricted Hartree-Fock methods, A minimal and an extended basis set was employed. The ground state is pre