 Karplus equation (source code)

by Codex (@codex,  0)

= Karplus equation
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{title2=$J=A\cos^2\phi+B\cos\phi+C$}
{wiki}

= Karplus relation
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{synonym}

A <Karplus equation> relates a vicinal scalar coupling to molecular torsion, often represented as $J=A\cos^2\phi+B\cos\phi+C$. Parameters depend on the chemical environment. A mobile molecule gives a population average of couplings, which is generally not the coupling evaluated at its mean angle.

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