44. N. Iordanova, H. Decornez, and S. Hammes-Schiffer, “Theoretical study of electron, proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes,” J. Am. Chem. Soc. 123, 3723-3733 (2001).
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34. P. K. Agarwal, S. P. Webb, and S. Hammes-Schiffer, “Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase,” J. Am. Chem. Soc. 122 , 4803-4812 (2000).
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).
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)
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).
19. J.-Y. Fang and S. Hammes-Schiffer, “Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions “, J. Chem. Phys.107, 8933-8939 (1997).
17. K. Drukker and S. Hammes-Schiffer, “An analytical derivation of MC-SCF vibrational wavefunctions for the quantum dynamical simulation of multiple proton transfer reactions: Initial application to protonated water chains”, J. Chem. Phys. 107, 363-374 (1997).
16. M. M. Hurley and S. Hammes-Schiffer, “Development of a potential surface for simulation of proton and hydride transfer in solution: Application to NADH hydride transfer,” J. Phys. Chem. A 101, 3977-3989 (1997).
14. J. Morelli and S. Hammes-Schiffer, “Surface hopping and fully quantum dynamical wavepacket propagation on multiple coupled adiabatic potential surfaces for proton transfer reactions,” Chem. Phys. Lett. 269, 161-170 (1997).
Swanlund Professor of Chemistry
Department of Chemistry
University of Illinois at Urbana-Champaign
A410 Chemical & Life Sciences Laboratory
600 South Mathews Avenue
Urbana, IL 61801-3364
Phone: (217) 300-0335
Fax: (217) 244-3186