2008 article

Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review†

Turner, C. H., Brennan, J. K., Lísal, M., Smith, W. R., Johnson, J. K., & Gubbins, K. E. (2008, February 1). Molecular Simulation, Vol. 34, pp. 119–146.

By: C. Turner*, J. Brennan*, M. Lísal*, W. Smith*, J. Johnson* & K. Gubbins n

author keywords: Monte Carlo; reaction; equilibria; simulation
topics (OpenAlex): Advanced Chemical Physics Studies; nanoparticles nucleation surface interactions; Phase Equilibria and Thermodynamics
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UN Sustainable Development Goal Categories
7. Affordable and Clean Energy (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2003 article

Effects of supercritical clustering and selective confinement on reaction equilibrium: A molecular simulation study of the esterification reaction

Turner, C. H., & Gubbins, K. E. (2003, September 8). The Journal of Chemical Physics, Vol. 119, pp. 6057–6067.

By: C. Turner n & K. Gubbins n

topics (OpenAlex): Phase Equilibria and Thermodynamics; Catalysis and Oxidation Reactions; Carbon Dioxide Capture Technologies
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UN Sustainable Development Goal Categories
6. Clean Water and Sanitation (OpenAlex)
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2002 article

Effect of confinement by porous materials on chemical reaction kinetics

Turner, C. H., Brennan, J. K., Johnson, J. K., & Gubbins, K. E. (2002, February 1). The Journal of Chemical Physics, Vol. 116, pp. 2138–2148.

By: C. Turner n, J. Brennan n, J. Johnson* & K. Gubbins n

topics (OpenAlex): Advanced Chemical Physics Studies; Spectroscopy and Quantum Chemical Studies; Molecular Junctions and Nanostructures
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UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2002 article

Simulation of chemical reaction equilibria and kinetics in heterogeneous carbon micropores

Turner, C. H., Brennan, J. K., Pikunic, J., & Gubbins, K. E. (2002, August 1). Applied Surface Science, Vol. 196, pp. 366–374.

By: C. Turner n, J. Brennan n, J. Pikunic n & K. Gubbins n

author keywords: reaction; kinetics; equilibrium; carbon; pores; simulation
topics (OpenAlex): Catalytic Processes in Materials Science; Zeolite Catalysis and Synthesis; Advanced Chemical Physics Studies
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UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

2001 article

Influence of chemical and physical surface heterogeneity on chemical reaction equilibria in carbon micropores

TURNER, C. H. E. A. T. H., PIKUNIC, J. O. R. G. E., & GUBBINS, K. E. I. T. H. E. (2001, December 20). Molecular Physics, Vol. 99, pp. 1991–2001.

By: C. Turner n, J. Pikunic n & K. Gubbins n

topics (OpenAlex): Zeolite Catalysis and Synthesis; Graphene research and applications; Mesoporous Materials and Catalysis
UN Sustainable Development Goals Color Wheel
UN Sustainable Development Goal Categories
13. Climate Action (Web of Science)
Sources: Web Of Science, NC State University Libraries
Added: August 6, 2018

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