THE STATUS OF THE $r{^{\prime}}_{m}$ METHOD FOR DETERMINATION OF NEAR-EQUILIBRIUM MOLECULAR STRUCTURES
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Date
1993
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Publisher
Ohio State University
Abstract
The application of the $r{^{\prime}}_{m}$ method for the determination of near-equilibrium molecular structures will be reviewed with particular emphasis upon organic polyatomic molecules. Several benchmark $parameters^{1}$ will be critically compared to the results of ab initio calculations using basis sets of increasing size and electron correlation treatments of varying sophistication. The prospects for application of the method to weakly bound molecules will be discussed.
Description
$^{1.}$ M.D. Harmony, Acc. Chem. Res. 25 321-327 (1992).
Author Institution: Department of Chemistry, University of Kansas
Author Institution: Department of Chemistry, University of Kansas