Matthew Neurock

发表

Computational design of "green" process technologies

Donald R. Jones, David A. Dixon, Jeffrey A. Nichols, 1997 .

Comparison of MIMD and SIMD strategies for Monte Carlo modelling of kinetically coupled reactions

Matthew Neurock, Michael T. Klein, Scott M. Stark, 1995 .

WTEC Panel Report on Internaitonal Assessment of Research and Development in Catalysis by Nanostructured Materials

Renu Sharma, Matthew Neurock, Raul F. Lobo, 2009 .

Applications of Molecular and Materials Modeling

Peter T. Cummings, Peter A. Kollman, Ellen B. Stechel, 2002 .

Reactivity of the Gold/Water Interface During Selective Oxidation Catalysis

Matthew Neurock, Robert J. Davis, M. Neurock, 2010, Science.

Elucidation of the electrochemical activation of water over Pd by first principles.

Matthew Neurock, M. Neurock, J-S Filhol, 2006, Angewandte Chemie.

CPU Issues in the Representation of the Molecular Structure of Petroleum Resid through Characterization, Reaction, and Monte Carlo Modeling

Matthew Neurock, Thomas F. Petti, Michael T. Klein, 1994 .

Density Functional Study of Benzene Adsorption on Pt(111)

Mark Saeys, Guy Marin, Marie-Françoise Reyniers, 2002 .

Engineering Molecular Transformations for Sustainable Energy Conversion

Matthew Neurock, M. Neurock, 2010 .

Chemisorption of CO and mechanism of CO oxidation on supported platinum nanoclusters.

Kazuhiro Takanabe, Matthew Neurock, Corneliu Buda, 2011, Journal of the American Chemical Society.

Density Functional Theory Analysis of Benzene (De)hydrogenation on Pt(111): Addition and Removal of the First Two H-Atoms

Mark Saeys, Guy Marin, Marie-Françoise Reyniers, 2003 .

Atomic assembly of Cu/Ta multilayers: Surface roughness, grain structure, misfit dislocations, and amorphization

Haydn N. G. Wadley, Matthew Neurock, Edmund B. Webb, 2007 .

Low-temperature catalytic H2 oxidation over Au nanoparticle/TiO2 dual perimeter sites.

Matthew Neurock, Wenjie Tang, John T Yates, 2011, Angewandte Chemie.

Reactivity theory of transition-metal surfaces: a Brønsted-Evans-Polanyi linear activation energy-free-energy analysis.

Matthew Neurock, M. Neurock, R. V. van Santen, 2010, Chemical reviews.

Representation of the Molecular Structure of Petroleum Resid through Characterization and Monte Carlo Modeling

Matthew Neurock, Thomas F. Petti, Michael T. Klein, 1994 .

Predicting lateral surface interactions through density functional theory: application to oxygen on Rh(100)

Matthew Neurock, M. Neurock, Eric Hansen, 1999 .

Mechanistic insights into ring-opening and decarboxylation of 2-pyrones in liquid water and tetrahydrofuran.

Matthew Neurock, J. Dumesic, M. Neurock, 2013, Journal of the American Chemical Society.

First-principles-based kinetic Monte Carlo simulation of nitric oxide decomposition over Pt and Rh surfaces under lean-burn conditions

Qingfeng Ge, Matthew Neurock, Jan J. Lerou, 2004 .

Spectroscopic Observation of Dual Catalytic Sites During Oxidation of CO on a Au/TiO2 Catalyst

Matthew Neurock, Wenjie Tang, John T Yates, 2011, Science.

Hydrogenation of polynuclear aromatic hydrocarbons. 2. quantitative structure/reactivity correlations

Matthew Neurock, Michael T. Klein, R. J. Quann, 1994 .

Oxidative Dehydrogenation of Cyclohexane on Cobalt Oxide (Co3O4) Nanoparticles: The Effect of Particle Size on Activity and Selectivity

Qiang Qian, Matthew Neurock, Maria Flytzani-Stephanopoulos, 2012 .

First principle analysis of the catalytic reaction pathways in the synthesis of vinyl acetate

David A. Dixon, Matthew Neurock, Rutger A. van Santen, 1996 .

First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111)

Matthew Neurock, Christopher D. Taylor, Michael J. Janik, 2009 .

First-principles-based Monte Carlo methodology applied to O/Rh(100)

Matthew Neurock, M. Neurock, Eric W. Hansen, 2000 .

First-principles-based kinetic Monte Carlo simulation of the selective hydrogenation of acetylene over Pd(111)

Matthew Neurock, Donghai Mei, Donghai Mei, 2006 .

Reaction Pathway Analysis: Global Molecular and Mechanistic Perspectives

Linda J. Broadbelt, Matthew Neurock, Michael T. Klein, 1993 .

First-Principles-Based Monte Carlo Simulation of Ethylene Hydrogenation Kinetics on Pd

Matthew Neurock, M. Neurock, Eric W. Hansen, 2000 .

First principles reaction modeling of the electrochemical interface: Consideration and calculation of a tunable surface potential from atomic and electronic structure

Matthew Neurock, Christopher D. Taylor, M. Neurock, 2006 .

First-principles-based molecular simulation of heterogeneous catalytic surface chemistry

Matthew Neurock, M. Neurock, Eric W. Hansen, 1998 .

Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.

Matthew Neurock, Corneliu Buda, Enrique Iglesia, 2011, Journal of the American Chemical Society.

Applying Molecular and Materials Modeling

Peter A. Kollman, Priya Vashishta, Peter T. Cummings, 2010 .

Molecular heterogeneous catalysis

Matthew Neurock, R. A. Santen, M. Neurock, 2006 .

Molecular representation of complex hydrocarbon feedstocks through efficient characterization and stochastic algorithms

Matthew Neurock, Michael T. Klein, Abhash Nigam, 1994 .

Monte carlo simulation of complex reaction systems: molecular structure and reactivity in modelling heavy oils

Matthew Neurock, Michael T. Klein, Abhash Nigam, 1990 .