Comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions

49. S. Hammes-Schiffer, “Comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions,” Chem. Phys. Chem. 3, 33-42 (2002).

Molecular dynamics simulation of proton-coupled electron transfer in solution

47. M. Kobrak and S. Hammes-Schiffer, “Molecular dynamics simulation of proton-coupled electron transfer in solution,” J. Phys. Chem. B 105, 10435-10445 (2001).

Theoretical study of electron, proton, and proton-coupled electron transfer reactions in iron bi-imidazoline complexes

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).

Theoretical perspectives on proton-coupled electron transfer reactions

43. S. Hammes-Schiffer, “Theoretical perspectives on proton-coupled electron transfer reactions,” Acc. Chem. Res. 34, 273-281 (2001).

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)