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

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

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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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