Title : Computational strategies for reactions of aggregated and solvated organolithium carbenoids.

Pub. Date : 2010 Aug 19

PMID : 20666488






1 Functional Relationships(s)
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1 This study explores the degree to which GGA, meta-GGA, hybrid GGA, and hybrid meta-GGA functionals of density functional theory (DFT), when used with the 6-31+G(d) basis set, are able to reproduce the MP2/6-31+G(d) structures and energetics of the species involved in the reactions of halomethyllithium carbenoids with ethylene. ethylene tryptase pseudogene 1 Homo sapiens