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Tetradehydrobenzenes: Singlet−Triplet Energy Separations and Vibrational Frequencies

✍ Scribed by Bettinger, Holger F.; Schleyer, Paul v. R.; Schaefer, Henry F.

Book ID
127132826
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
176 KB
Volume
121
Category
Article
ISSN
0002-7863

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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