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• W2025052234 endingPage "1111" @default.
• W2025052234 startingPage "1091" @default.
• W2025052234 abstract "The parity-violating weak neutral current perturbation of the groundstate electronic energy has been calculated, by ab initio methods, for the (S)-isomer of hydrogen peroxide, over a range of standard Gaussian basis sets. The STO-N-31G, but not the STO-NG, sets give energy shifts E pv which converge with increasing N towards the corresponding E pv value given by an extended basis. Calculations for α-amino acids, peptides, model helical systems, with the STO-6-31G basis, or with an analogous set for corre-sponding sulphur analogues, show that the E pv shift is sensitive in sign and magnitude to the molecular conformation generally. It is found that L-alanine and the L-peptides in the α-helix and the β-sheet conformation have a lower ground state energy than the corresponding D-enantiomers due to the WNC interaction. The energy shift E pv only approximates to an expected Z 5 proportionality, and it does not correlate consistently in sign with the handedness of a helical system." @default.
• W2025052234 created "2016-06-24" @default.
• W2025052234 creator A5025709357 @default.
• W2025052234 creator A5072992270 @default.
• W2025052234 date "1984-12-10" @default.
• W2025052234 modified "2023-10-11" @default.
• W2025052234 title "The parity-violating energy difference between enantiomeric molecules" @default.
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• W2025052234 doi "https://doi.org/10.1080/00268978400102881" @default.
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