Approximate Quantum Mechanical Methods for Rate Computation in Complex Systems

Author:

Schwartz Steven D.

Publisher

Springer Netherlands

Reference64 articles.

1. Y.M. Li and J.Z.H. Zhang, “Theoretical dynamical treatment of chemical reactions”, In: Modern Trends In Chemical Reaction Dynamics Part I: Experiment and Theory by Xueming Yang & Kopin Liu (eds.), 2003.

2. Wm.H. Miller, S.D. Schwartz, and J.W. Tromp, “Quantum mechanical rate constants for bimolecular reactions”, J. Chem. Phys., 79, 4889–4898, 1983.

3. T. Yamamoto, “Quantum statistical mechanical theory of the rate of exchange chemical reactions in the gas phase”, J. Chem. Phys., 33, 281, 1960.

4. D. Chandler, “Statistical mechanics of isomerization dynamics in liquids and the transition state approximation”, J. Chem. Phys., 2959–2970, 1978.

5. For an older but excellent review see: R.B. Bernstein, “Quantum effects in elastic molecular scattering”, Adv. Chem. Phys., 10, 75, 1966.

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