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Lippincott—Schroeder LS Potential

In these expressions, / (or/) are the bond lengths (or the harmonic force constants) of the unperturbed HA and H - B bonds. The data for the unperturbed H - B bond are not usually known. However, Lippincott and Schroeder introduced the approximation [Pg.506]

Lippincott and Schroeder expressed the repulsive term as a negative exponential and the electrostatic one as a negative power of the AB distance. Both these terms involve empirical constants. They were modified to reduce the number of constants and the following expression was obtained  [Pg.506]

The first derivative of the potential expresses the parameter A as a function of the repulsion constant b, and the set of parameters defined above [Pg.507]

Another important quantity in the LS potential is the force constant of the AB hydrogen bond. This can be obtained from the second derivative of the potential. [Pg.507]

The importance of this force constant results from its relation to the AB vibrational frequency [Pg.508]


See other pages where Lippincott—Schroeder LS Potential is mentioned: [Pg.37]    [Pg.505]    [Pg.505]    [Pg.507]    [Pg.37]    [Pg.505]    [Pg.505]    [Pg.507]   


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Lippincott

Lippincott-Schroeder potential

Schroeder

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