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- W1963966939 abstract "The equilibrium C-H bond distance of methane has been predicted using the single-reference coupled cluster method including all single, double and perturbative triple configuration excitations [CCSD(T)] in conjunction with large atomic natural orbital basis sets originating from Almöf and Taylor's and Dunning's contractions. The best theoretical prediction for the r e of methane being 1·087 Å, obtained with a [5 + 1s 4 + 1p 3d 2f 1g/5s 3p 1d] basis set at the CCSD(T) level of theory, is in agreement with the experimental value of 1·086 ± 0·001 Å." @default.
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- W1963966939 date "1992-04-10" @default.
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- W1963966939 title "A coupled cluster study of the equilibrium bond distance in methane" @default.
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- W1963966939 doi "https://doi.org/10.1080/00268979200100841" @default.
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