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- W2017462956 abstract "Isotopic substitution in a molecule may be considered as a small perturbation of the molecular geometry. In NMR terms, it may be thought of as a second perturbation operating in parallel with the first one, the magnetic field. A double perturbation theory put forward in the present paper aims at explaining isotope chemical shifts. The heavier isotopic replacement (HD, i.e., an AH bond is replaced by an AD bond) has been shown to result in a small increase of all the excitation energies and in an increase in the nuclear magnetic shielding constants." @default.
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- W2017462956 modified "2023-09-23" @default.
- W2017462956 title "Calculations of the isotope chemical shifts for13C,14N and17O nuclei based on double perturbation theory" @default.
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- W2017462956 doi "https://doi.org/10.1016/0009-2614(75)85283-3" @default.
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