The parity-violating energy difference between enantiomeric molecules

Abstract

The parity-violating weak neutral current perturbation of the electronic energy has been calculated, by ab initio methods, for the (S)-isomer of hydrogen peroxide over a range of gaussian basis sets, and for L-alanine with a STO-6-31G basis. The WNC energy shift is found to be dependent in sign and magnitude upon the particular conformation adopted by the enantiomer, and to vanish in the case of isotopically enantiomeric molecules.