Title : Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.

Pub. Date : 2007 Nov 22

PMID : 17963367






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1 We have calculated the intermolecular interaction potentials of the silane dimer at the D3d conformation using the Hartree-Fock (HF) self-consistent theory, the correlation-corrected second-order Moller-Plesset (MP2) perturbation theory, and the density functional theory (DFT) with 108 functionals chosen from the combinations of 9 exchange and 12 correlation functionals. Silanes tryptase pseudogene 1 Homo sapiens