Abstract

The chapter provides accurate results of parity-violating energy shift (PVES) for a number of biologically important molecules. A negative sign is always found for the naturally occurring enantiomers, and the parity-violating energy difference (PVED) magnitudes are one order of magnitude higher than any previously obtained value. The behavior of PVES against basis set composition and size is tested with the adoption of small and more extended basis sets of Gaussian functions in the cases presented in the chapter. PVES depends heavily on the approximation adopted for calculation, and the results obtained with random-phase approximation are more than one order of magnitude higher than those obtained with the uncoupled Hartree-Fock method approach.

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