Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions

69. A. Soudackov, E. Hatcher, and S. Hammes-Schiffer, “Quantum and dynamical effects of proton donor-acceptor vibrational motion in nonadiabatic proton-coupled electron transfer reactions,” J. Chem. Phys.122, 014505 (2005).

Kinetic isotope effects for proton-coupled electron transfer reactions

68. S. Hammes-Schiffer, “Kinetic isotope effects for proton-coupled electron transfer reactions” in Isotope Effects in Chemistry and Biology, eds. H. Limbach and A. Kohen (CRC Press LLC, Boca Raton, 2005).

Proton-coupled electron transfer in soybean lipoxygenase

64. E. Hatcher, A. V. Soudackov, and S. Hammes-Schiffer, “Proton-coupled electron transfer in soybean lipoxygenase,” J. Am. Chem. Soc. 126, 5763-5775 (2004).

Theoretical studies of proton-coupled electron transfer reactions

61. S. Hammes-Schiffer and N. Iordanova, “Theoretical studies of proton-coupled electron transfer reactions,”Biochim. Biophys. Acta. 1655, 29-36 (2004).

Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II

60. C. Carra, N. Iordanova, and S. Hammes-Schiffer, “Proton-coupled electron transfer in a model for tyrosine oxidation in photosystem II,” J. Am. Chem. Soc. 125, 10429-10436 (2003).

Proton-coupled electron transfer in DNA-acrylamide complexes

53. C. Carra, N. Iordanova and S. Hammes-Schiffer, “Proton-coupled electron transfer in DNA-acrylamide complexes,” J. Phys. Chem. B 106, 8415-8421 (2002).

Theoretical investigation of large kinetic isotope effects for proton-coupled electron transfer in ruthenium polypyridyl complexes.

52. N. Iordanova and S. Hammes-Schiffer, “Theoretical investigation of large kinetic isotope effects for proton-coupled electron transfer in ruthenium polypyridyl complexes,” J. Am. Chem. Soc. 124, 4848-4856 (2002).

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).