William F. Schneider

University of Notre Dame
Department of Chemical and Biomolecular Engineering
182 Fitzpatrick Hall
Notre Dame, IN
USA 46530
OC73 First Principles Simulation of Intermediate Steps in Nitrate Reduction on Metal Catalysts
OE60 Computational Design of Aprotic Heterocyclic Anions (AHAs) for Ionic-Liquid-Based CO2 Separations
OF18 Connecting molecular processes to macro-kinetic observables of surface catalytic reactions using first-principles simulations
OF67 Non-equilibrium (NO)2 Dimer Formation During Catalytic Reactions With Nanometric Resolution
P-Tu-86 DFT study of electrostatic interactions of CO and NO adsorbed on Pt(111) with uniform external electric field and co-adsorbate dipoles
P-We-85 First Principles and Cluster Expansion Analysis of Oxygen Adsorption and Dissociation on the Kinked Pt(321) Surface

Gender: Male