Nuclear quantum effects

Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries

232. K. R. Brorsen, Y. Yang, and S. Hammes-Schiffer, “Multicomponent density functional theory: Impact of nuclear quantum effects on proton affinities and geometries,” J. Phys. Chem. Lett. 8, 3488-3493 (2017).

Analysis of nuclear quantum effects on hydrogen bonding

95. C. Swalina, Q. Wang, A. Chakraborty, and S. Hammes-Schiffer, “Analysis of nuclear quantum effects on hydrogen bonding,” J. Phys. Chem. A 111, 2206-2212 (2007).

Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis

51. P. K. Agarwal, S. R. Billeter,and S. Hammes-Schiffer, “Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis,” J. Phys. Chem. B 106, 3283-3293 (2002).