hydrogen bonding

Proton-coupled electron transfer in soybean lipoxygenase: Dynamical behavior and temperature dependence of kinetic isotope effects

93. E. Hatcher, A. V. Soudackov, and S. Hammes-Schiffer, “Proton-coupled electron transfer in soybean lipoxygenase: Dynamical behavior and temperature dependence of kinetic isotope effects,” J. Am. Chem. Soc. 129, 187-196 (2007).

Proton-coupled electron transfer reactions: Theoretical formulation and applications

91. S. Hammes-Schiffer, “Proton-coupled electron transfer reactions: Theoretical formulation and applications” pp. 479-502 in Handbook of Hydrogen Transfer. Volume 2: Physical and Chemical Aspects of Hydrogen Transfer, eds. J.T. Hynes, J.P. Klinman, H.-H. Limbach, and R.L. Schowen (Wiley-VCH, Weinheim, 2007).

Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms

90. J. H. Skone, A. V. Soudackov, and S. Hammes-Schiffer, “Calculation of vibronic couplings for phenoxyl/phenol and benzyl/toluene self-exchange reactions: Implications for proton-coupled electron transfer mechanisms,” J. Am. Chem. Soc. 128, 16655-16663 (2006).

Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions

77. E. Hatcher, A. Soudackov, S. Hammes-Schiffer, “Comparison of dynamical aspects of nonadiabatic electron, proton, and proton-coupled electron transfer reactions,” Chemical Physics 319, 93-100 (2005).

Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates

74. E. Hatcher, A. Soudackov, and S. Hammes-Schiffer, “Nonadiabatic proton-coupled electron transfer reactions: Impact of donor-acceptor vibrations, reorganization energies, and couplings on dynamics and rates,” J. Phys. Chem. B 109 18565-18574 (2005).

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).