Decoherence in Combined Quantum Mechanical and Classical Mechanical Methods for Dynamics as Illustrated for Non-Born–Oppenheimer Trajectories

Author:

Truhlar Donald G.

Publisher

Springer Berlin Heidelberg

Reference67 articles.

1. Gao J, Thompson MA (eds) (1998) Combined quantum mechanical and molecular mechanical methods. American Chemical Society, Washington

2. Gao J, Truhlar DG (2002) Quantum mechanical methods for enzyme kinetics. Annu Rev Phys Chem 53: 467-505

3. . Lin H, Truhlar DG QM/MM: What have we learned, where are we, and where do we go from here? Theor Chem Acc, in press

4. Truhlar DG, Garrett BC (1980) Variational transition state theory. Acc Chem Res 13: 440-448

5. Truhlar DG, Isaacson AD, Garrett BC (1985) Generalized transition state theory. In: Baer M (ed) Theory of chemical reaction dynamics. CRC Press, Boca Raton, Vol. 4, pp. 65-137

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