Enzyme motions inside and out

82. S. J. Benkovic and S. Hammes-Schiffer, “Enzyme motions inside and out,” Science 312, 208-209 (2006).

Relating protein motion to catalysis

81. S. Hammes-Schiffer and S. J. Benkovic, “Relating protein motion to catalysis,” Annual Reviews of Biochemistry 75, 519-541 (2006).

Freezing a single distal motion in dihydrofolate reductase

80. A. Sergi, J. B. Watney, K. F. Wong, and S. Hammes-Schiffer, “Freezing a single distal motion in dihydrofolate reductase,” J. Phys. Chem. B 110, 2435-2441 (2006).

Hydrogen tunneling and protein motion in enzyme reactions

79. S. Hammes-Schiffer, “Hydrogen tunneling and protein motion in enzyme reactions,” Acc. Chem. Res. 39, 93-100 (2006).

Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme

78. J. B. Watney, A. V. Soudackov, K. F. Wong, and S. Hammes-Schiffer, “Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme,” Chem. Phys. Lett. 418, 264-267 (2005).

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).

Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer

76. C. Swalina and S. Hammes-Schiffer, “Impact of nuclear quantum effects on the molecular structure of bihalides and the hydrogen fluoride dimer,” J. Phys. Chem. A 109, 10410-10417 (2005).

Nuclear-electronic orbital nonorthogonal configuration interaction approach

75. J. H. Skone, M. V. Pak, and S. Hammes-Schiffer, “Nuclear-electronic orbital nonorthogonal configuration interaction approach,” J. Chem. Phys. 123, 134108 (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).

Investigation of isotope effects with the nuclear-electronic orbital approach

73. A. Reyes, M. V. Pak, and S. Hammes-Schiffer, “Investigation of isotope effects with the nuclear-electronic orbital approach”, J. Chem. Phys. 123, 064104 (2005).