Question

Use few sentances to outline how karplus equation's constants(A,B,C) was derived "MOSTLY IN WORD"

Like in which step he use hamiltonian operator to separate AHH

Answer 1

The Karplus equation,

J()=Ccos2+Bcos+A

J is the ³J coupling constant,

=is the dihedral angle,

A, B, and C are empirically derived parameters the values of which depend on the atoms and substituents involved.

The relationship may be expressed in many number of equivalent ways e.g. involving cos² φ rather than cos 2φ —these results in different numerical values of A, B, and C but it will not change the nature of the relationship

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