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Torsion Angle Constraints from Scalar Coupling Constants

Torsion Angle Constraints from Scalar Coupling Constants [Pg.44]

Vicinal scalar coupling constants, 3J, between atoms separated by three covalent bonds from each other are related to the enclosed torsion angle, 6, by Karplus relations [45]. [Pg.44]

Alternatively, scalar coupling constants can also be introduced into the structure calculation as direct constraints by adding a term of the type [Pg.45]

See other pages where Torsion Angle Constraints from Scalar Coupling Constants is mentioned: [Pg.44]    [Pg.1099]    [Pg.169]   


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Constant from

Constraints torsion angle

Coupling constants torsion angles

Scalar

Scalar coupling constant

Scalar couplings

Torsion angl

Torsion angle

Torsion constraints

Torsion from scalar coupling constants

Torsional angles

Torsional constants

Torsional constraints

Torsional coupling

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