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The Journal of Physical Chemistry. B|August 4, 2006
Adsorption and activation of CO over flat and stepped Co surfaces: a first principles analysisQingfeng Ge, Matthew NeurockFaraday Discussions|February 14, 2009
A first principles comparison of the mechanism and site requirements for the electrocatalytic oxidation of methanol and formic acid over PtMatthew Neurock, Michael Janik, Andrzej WieckowskiJournal of the American Chemical Society|October 6, 2007
Structural requirements and reaction pathways in dimethyl ether combustion catalyzed by supported Pt clustersAkio Ishikawa, Matthew Neurock, Enrique IglesiaJournal of the American Chemical Society|October 26, 2011
Formation of C-C and C-O bonds and oxygen removal in reactions of alkanediols, alkanols, and alkanals on copper catalystsMaría E Sad, Matthew Neurock, Enrique IglesiaThe Journal of Physical Chemistry. B|July 21, 2006
Screening by kinetic Monte Carlo simulation of Pt-Au(100) surfaces for the steady-state decomposition of nitric oxide in excess dioxygenLaurent D Kieken, Matthew Neurock, Donghai MeiJournal of the American Chemical Society|January 14, 2026
Selective Chemical Looping Combustion of Terminal Alkynes in Mixtures with AlkenesMatthew Jacob, Huy Nguyen, Matthew Neurock, et al.Physical Chemistry Chemical Physics : PCCP|December 17, 2025
Hydrogenation of ethylene over molybdenum-sulfur complexes supported on UiO-66Maryam Mansoori Kermani, Matthew Neurock, Donald G TruhlarJournal of the American Chemical Society|July 11, 2002
Periodic density functional theory study of methane activation over La(2)O(3): activity of O(2-), O(-), O(2)(2-), oxygen point defect, and Sr(2+)-doped surface sitesMichael S Palmer, Matthew Neurock, Michael M OlkenJournal of Chemical Theory and Computation|February 15, 2017
Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast ReactionsEric C Dybeck, Craig P Plaisance, Matthew NeurockThe Journal of Physical Chemistry. B|July 21, 2006
First-principles analysis of the effects of alloying Pd with Ag for the catalytic hydrogenation of acetylene-ethylene mixturesPriyam A Sheth, Matthew Neurock, C Michael SmithPageof 7