Title : Performance of spin-component-scaled Møller-Plesset theory (SCS-MP2) for potential energy curves of noncovalent interactions.

Pub. Date : 2007 Dec 14

PMID : 18167585






1 Functional Relationships(s)
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1 For the methane dimer, errors for SCS(N)-(L)MP2/CBS remain in the 0.2-0.3 kcal mol(-1) range, corresponding to a larger relative error of 40-50%. Methane cystathionine beta-synthase Homo sapiens