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A Comprehensive Treatise On Inorganic And Theoretical by Mellor J.W

By Mellor J.W

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H. (1992). J. Chem. Phys. 97, 3500. N. (1989). Chem. Phys. 139, 1. L. (1996) personal communication. L. (1982). J. Phys. Chem. 86, 2873. , and Tennyson, J. (1990). Mol. Phys. 69, 639. S. (1982). J. Chem. Phys. 76, 5356. F. (1993). J. Chem. Phys. 99, 950. VIBRATIONAL/ROTATIONAL ENERGY LEVELS 45 Herzberg, G. (1945). Molecular Spectra and Molecular Structure II. Infrared and Raman Spectra of Polyatomic Molecules. Van Nostrand Reinhold, New York. M. (1985). Potential Energy Surfaces. Molecular Structure and Reaction Dynamics.

Centrifugal coupling occurs through the coordinate dependence of the tensor. Even if the coordinate dependence of is ignored, coriolis coupling arises through the cross term — . If these coupling terms are removed by neglecting and setting the to their values at the equilibrium geometry, the third term in Eq. 52) becomes equal to Eq. 50). This becomes apparent if the moment of inertia tensor is diagonalized, so that the nondiagonal 30 UNIMOLECULAR REACTION DYNAMICS are zero and the diagonal terms, for example, are simply inverses of the principal moments of inertia.

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