Proton-coupled electron transfer

40. S. Hammes-Schiffer, “”Proton-coupled electron transfer,” in Electron Transfer in Chemistry Vol. I. Principles, Theories, Methods and Techniques, ed. V. Balzani (Wiley-VCH, Weinheim, 2001).

Model proton-coupled electron transfer reactions in solution: Predictions of rates, mechanisms, and kinetic isotope effects

39. H. Decornez and S. Hammes-Schiffer, “Model proton-coupled electron transfer reactions in solution: Predictions of rates, mechanisms, and kinetic isotope effects,” J. Phys. Chem. A 104, 9370-9384 (2000).

Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution

35. A. Soudackov and S. Hammes-Schiffer, “Derivation of rate expressions for nonadiabatic proton-coupled electron transfer reactions in solution,” J. Chem. Phys. 113, 2385-2396 (2000).

Theoretical study of photoinduced proton-coupled electron transfer through asymmetric salt bridges.

33. A. V. Soudackov and S. Hammes-Schiffer, “Theoretical study of photoinduced proton-coupled electron transfer through asymmetric salt bridges,” J. Am. Chem. Soc. 121, 10598-10607 (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 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)

Nonadiabatic dynamics for processes involving multiple avoided curve crossings: Double proton transfer and proton-coupled electron transfer reactions.

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).

Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions

18. J.-Y. Fang and S. Hammes-Schiffer, “Excited state dynamics with nonadiabatic transitions for model photoinduced proton-coupled electron transfer reactions “, J. Chem. Phys. 107, 5727-5739 (1997).

Proton-coupled electron transfer reactions in solution: molecular dynamics with quantum transitions for model systems

15. J.-Y. Fang and S. Hammes-Schiffer, “Proton-coupled electron transfer reactions in solution: molecular dynamics with quantum transitions for model systems “, J. Chem. Phys. 106, 8442-8454 (1997).