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The Journal of Chemical Physics|March 23, 2022
Analytical gradients for nuclear-electronic orbital multistate density functional theory: Geometry optimizations and reaction pathsQi Yu, Patrick E Schneider, Sharon Hammes-SchifferThe Journal of Physical Chemistry Letters|July 27, 2019
Diagonal Born-Oppenheimer Corrections within the Nuclear-Electronic Orbital FrameworkPatrick E Schneider, Fabijan Pavošević, Sharon Hammes-SchifferThe Journal of Chemical Physics|August 3, 2018
Alternative forms and transferability of electron-proton correlation functionals in nuclear-electronic orbital density functional theoryKurt R Brorsen, Patrick E Schneider, Sharon Hammes-SchifferThe Journal of Physical Chemistry Letters|February 19, 2019
Molecular Vibrational Frequencies within the Nuclear-Electronic Orbital FrameworkYang Yang, Patrick E Schneider, Tanner Culpitt, et al.Journal of Chemical Theory and Computation|July 14, 2021
Analytical Gradients for Nuclear-Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation EnergiesZhen Tao, Saswata Roy, Patrick E Schneider, et al.Journal of Chemical Theory and Computation|October 17, 2019
Molecular Vibrational Frequencies with Multiple Quantum Protons within the Nuclear-Electronic Orbital FrameworkTanner Culpitt, Yang Yang, Patrick E Schneider, et al.The Journal of Chemical Physics|February 9, 2021
Transition states, reaction paths, and thermochemistry using the nuclear-electronic orbital analytic HessianPatrick E Schneider, Zhen Tao, Fabijan Pavošević, et al.ACS Central Science|July 3, 2019
Brønsted Acid Scaling Relationships Enable Control Over Product Selectivity from O<sub>2</sub> Reduction with a Mononuclear Cobalt Porphyrin CatalystYu-Heng Wang, Patrick E Schneider, Zachary K Goldsmith, et al.Langmuir : the ACS Journal of Surfaces and Colloids|August 13, 2025
Spectroscopic and Computational Characterization of the Adsorption of Quaternary Ammonium Ions on Ceria-Supported Colloidal Silica Particle FilmsNicole M Smiddy, Jamie L Sedlacko, Charles M Ramia, et al.Journal of the American Chemical Society|August 1, 2018
Kinetic and Mechanistic Characterization of Low-Overpotential, H<sub>2</sub>O<sub>2</sub>-Selective Reduction of O<sub>2</sub> Catalyzed by N<sub>2</sub>O<sub>2</sub>-Ligated Cobalt ComplexesYu-Heng Wang, Zachary K Goldsmith, Patrick E Schneider, et al.Pageof 1