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- W2021034701 abstract "Coupling constants between CH3 or CF3 groups and a nucleus elsewhere in the molecule are averages over internal rotation. The probability distribution functions of the relevant dihedral angles have been calculated for temperatures 173 and 373 K, and combining these with calculations of the angular dependence of the coupling constants, enables us to predict the temperature dependences. It is predicted that 3 J HF in ethyl fluoride is independent of temperature, but 3 J FF in CF3CFH2 and CF3CFO and 4 J FF in CF3CF=CF2 are predicted to show appreciable changes over 200 K." @default.
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- W2021034701 date "1974-08-01" @default.
- W2021034701 modified "2023-09-26" @default.
- W2021034701 title "A theoretical estimate of the temperature dependence of FH and FF spin coupling constants averaged over internal rotations" @default.
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- W2021034701 doi "https://doi.org/10.1080/00268977400102951" @default.
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