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Physical Chemistry Chemical Physics : PCCP
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February 7, 2023
Large-scale benchmarks of the time-warp/graph-theoretical kinetic Monte Carlo approach for distributed on-lattice simulations of catalytic kinetics
Giannis D Savva, Raz L Benson, Ilektra A Christidi, et al.
Journal of Colloid and Interface Science
|
December 30, 2021
Surface morphology effects on clathrate hydrate wettability
Anh Phan, Hannah M Stoner, Michail Stamatakis, et al.
The Journal of Chemical Physics
|
December 22, 2010
Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments
Hangyao Wang, Michail Stamatakis, Danielle A Hansgen, et al.
The Journal of Chemical Physics
|
August 10, 2017
A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers
Emanuele Vignola, Stephan N Steinmann, Bart D Vandegehuchte, et al.
The Journal of Physical Chemistry Letters
|
October 11, 2021
Periodic Trends in Adsorption Energies around Single-Atom Alloy Active Sites
Julia Schumann, Yutian Bao, Ryan T Hannagan, et al.
ACS Applied Materials & Interfaces
|
November 21, 2025
Supported Vanadium Carbide Catalysts for Reverse Water Gas Shift and Methanol Steam Reforming: Activity, Stability, and Coking Pathways
Arturo Pajares, Sai Sharath Yadavalli, Hector Prats, et al.
The Journal of Physical Chemistry Letters
|
September 17, 2020
Controlling Hydrocarbon (De)Hydrogenation Pathways with Bifunctional PtCu Single-Atom Alloys
Romain Réocreux, Paul L Kress, Ryan T Hannagan, et al.
Journal of Chemical Theory and Computation
|
October 12, 2019
Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations
Maria Apostolopoulou, Mirella S Santos, Muhammad Hamza, et al.
Chemical Communications (Cambridge, England)
|
November 30, 2019
Efficient and selective carbon-carbon coupling on coke-resistant PdAu single-atom alloys
Romain Réocreux, Matthew Uhlman, Theodore Thuening, et al.
The Journal of Chemical Physics
|
July 9, 2021
Mechanistic insights into carbon-carbon coupling on NiAu and PdAu single-atom alloys
Paul Kress, Romain Réocreux, Ryan Hannagan, et al.
Page
of 7
Search research articles
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Showing results (41-50 of 65) with videos related to
Sort By:
Page
of 7
Physical Chemistry Chemical Physics : PCCP
|
February 7, 2023
Large-scale benchmarks of the time-warp/graph-theoretical kinetic Monte Carlo approach for distributed on-lattice simulations of catalytic kinetics
Giannis D Savva, Raz L Benson, Ilektra A Christidi, et al.
Journal of Colloid and Interface Science
|
December 30, 2021
Surface morphology effects on clathrate hydrate wettability
Anh Phan, Hannah M Stoner, Michail Stamatakis, et al.
The Journal of Chemical Physics
|
December 22, 2010
Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments
Hangyao Wang, Michail Stamatakis, Danielle A Hansgen, et al.
The Journal of Chemical Physics
|
August 10, 2017
A machine learning approach to graph-theoretical cluster expansions of the energy of adsorbate layers
Emanuele Vignola, Stephan N Steinmann, Bart D Vandegehuchte, et al.
The Journal of Physical Chemistry Letters
|
October 11, 2021
Periodic Trends in Adsorption Energies around Single-Atom Alloy Active Sites
Julia Schumann, Yutian Bao, Ryan T Hannagan, et al.
ACS Applied Materials & Interfaces
|
November 21, 2025
Supported Vanadium Carbide Catalysts for Reverse Water Gas Shift and Methanol Steam Reforming: Activity, Stability, and Coking Pathways
Arturo Pajares, Sai Sharath Yadavalli, Hector Prats, et al.
The Journal of Physical Chemistry Letters
|
September 17, 2020
Controlling Hydrocarbon (De)Hydrogenation Pathways with Bifunctional PtCu Single-Atom Alloys
Romain Réocreux, Paul L Kress, Ryan T Hannagan, et al.
Journal of Chemical Theory and Computation
|
October 12, 2019
Quantifying Pore Width Effects on Diffusivity via a Novel 3D Stochastic Approach with Input from Atomistic Molecular Dynamics Simulations
Maria Apostolopoulou, Mirella S Santos, Muhammad Hamza, et al.
Chemical Communications (Cambridge, England)
|
November 30, 2019
Efficient and selective carbon-carbon coupling on coke-resistant PdAu single-atom alloys
Romain Réocreux, Matthew Uhlman, Theodore Thuening, et al.
The Journal of Chemical Physics
|
July 9, 2021
Mechanistic insights into carbon-carbon coupling on NiAu and PdAu single-atom alloys
Paul Kress, Romain Réocreux, Ryan Hannagan, et al.
Page
of 7