Patrick Schneider

Patrick Schneider


Nuclear Electronic Orbital (NEO) Method
Electrochemical Proton-Coupled Electron Transfer (PCET)

patrick.schneider@yale.edu

B.S. in Chemistry and Mathematics, 2016
Bradley University, Peoria, IL

Publications

Molecular vibrational frequencies within the nuclear-electronic orbital framework

250. Y. Yang, P. E. Schneider, T. Culpitt, F. Pavošević, and S. Hammes-Schiffer, “Molecular vibrational frequencies within the nuclear-electronic orbital framework,” J. Phys. Chem. Lett. 10, 1167-1172 (2019).

Kinetic and mechanistic characterization of low-overpotential, H2O2-selective reduction of O2 catalyzed by N2O2-ligated cobalt complexes

241. Y.-H. Wang, Z. K. Goldsmith, P. E. Schneider, C. W. Anson, J. B. Gerken, S. Ghosh, S. Hammes-Schiffer, and S. S. Stahl, “Kinetic and mechanistic characterization of low-overpotential, H2O2-selective reduction of O2 catalyzed by N2O2-ligated cobalt complexes,” J. Am. Chem. Soc. 14010890-10899 (2018).

Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory

238. K. R. Brorsen, P. Schneider, and S. Hammes-Schiffer, “Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theory,” J. Chem. Phys. 149, 044110 (2018).