Comparison of surface hopping and mean field approaches for model proton transfer reactions

29. J.-Y. Fang and S. Hammes-Schiffer, “Comparison of surface hopping and mean field approaches for model proton transfer reactions,” J. Chem. Phys. 110, 11166-11175 (1999).

Solvation and hydrogen-bonding effects on proton wires

28. H. Decornez, K. Drukker, and S. Hammes-Schiffer, “Solvation and hydrogen-bonding effects on proton wires,” J. Phys. Chem. A 103, 2891-2898 (1999).

Removal of the double adiabatic approximation for proton-coupled electron transfer reactions in solution

27. A. V. Soudackov and S. Hammes-Schiffer, “Removal of the double adiabatic approximation for proton-coupled electron transfer reactions in solution”, Chem. Phys. Lett. 299, 503-510 (1999).

Mixed quantum/classical dynamics of hydrogen transfer reactions

26. S. Hammes-Schiffer, “Mixed quantum/classical dynamics of hydrogen transfer reactions”, J. Phys. Chem. A102, 10443-10454 (1998).

Quantum dynamics of multiple modes for reactions in complex systems

25. S. Hammes-Schiffer, “Quantum dynamics of multiple modes for reactions in complex systems”, Faraday Discuss110, 391-406 (1998).

Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase

24. S. Hammes-Schiffer, “Mixed quantum/classical dynamics of single proton, multiple proton, and proton-coupled electron transfer reactions in the condensed phase,” pp. 73-119 in Comparisons of Classical and Quantum Dynamics, Volume II of Advances in Classical Trajectory Methods, ed. W. L. Hase (JAI Press, Inc., Greenwich, 1998)

Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian. II. Numerical tests

23. J.-Y. Fang and S. Hammes-Schiffer, “Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian. II. Numerical tests”, J. Chem. Phys. 109, 7051-7063 (1998).

Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian. I. Theory

22. J.-Y. Fang and S. Hammes-Schiffer, “Time-dependent self-consistent-field dynamics based on a reaction path Hamiltonian. I. Theory”, J. Chem. Phys. 108, 7085-7099 (1998).

Proton transport along water chains in an electric field

21. K. Drukker, S. de Leeuw, and S. Hammes-Schiffer, “Proton transport along water chains in an electric field “, J. Chem. Phys. 108, 6799-6808 (1998).

Proton transport along water chains and NADH hydride transfer in solution

20. H. Decornez, K. Drukker, M. M. Hurley, and S. Hammes-Schiffer, “Proton transport along water chains and NADH hydride transfer in solution,” Berichte der Bunsengesellschaft für Physikalische Chemie (special issue on hydrogen transfer) 102, 533-543 (1998).