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Description: A few nice Karplus and Pachler calculators. Downloadable
Generalized 3JHH calculation acc. Haasnoot et al. Conformational analysis of natural products Generalized 3JHH calculation acc. Haasnoot et al. H coupling constants is determined mainly by the torsion angle between the protons but substituents, especially electronegative ones, do also affect the coupling. They influence the coupling in two ways; they cause a change in overall magnitude of the Karplus equation, and they cause a shift of the maxima and minima of the curve. Several attempts have been made to account for these effects.
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