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A coupled cluster study of the equilibrium bond distance in methane

✍ Scribed by Colt, John R.; Scuseria, Gustavo E.


Book ID
121293885
Publisher
Taylor and Francis Group
Year
1992
Tongue
English
Weight
331 KB
Volume
75
Category
Article
ISSN
0026-8976

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The equilibrium geometry of the title compound has been completely optimized via ab initio quantum mechanical methods using basis sets as large as double-zeta plus polarization (DZ t P) functions, i.e. C( 9~5~1 d/4s2pl d), H (4slp/2slp). As hypothe-