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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 8, 2021
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study
Fabian Morteo-Flores, Alberto Roldan
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2019
A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe<sub>3</sub>S<sub>4</sub>{111} surface
Alberto Roldan, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP
|
April 27, 2017
A kinetic model of water adsorption, clustering and dissociation on the Fe<sub>3</sub>S<sub>4</sub>{001} surface
Alberto Roldan, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP
|
December 21, 2022
Toward a new definition of surface energy for late transition metals
Alexandre Boucher, Glenn Jones, Alberto Roldan
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2019
The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study
Julien Engel, Samantha Francis, Alberto Roldan
Faraday Discussions
|
February 10, 2017
Selective hydrogenation of CO on Fe<sub>3</sub>S<sub>4</sub>{111}: a computational study
Alberto Roldan, Nora H de Leeuw
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
July 7, 2020
Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Fabian Morteo-Flores, Julien Engel, Alberto Roldan
Chemical Communications (Cambridge, England)
|
June 17, 2016
Highlights from Faraday Discussion: Designing New Heterogeneous Catalysts, London, UK, April 2016
Nico Fischer, Haresh G Manyar, Alberto Roldan
Journal of Chemical Theory and Computation
|
February 25, 2025
Machine Learning Force Field for Optimization of Isolated and Supported Transition Metal Particles
Alexandre Boucher, Cameron Beevers, Bertrand Gauthier, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 30, 2015
Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu(111) surfaces
Saeedeh S Tafreshi, Alberto Roldan, Nora H de Leeuw
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of 6
Search research articles
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Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 8, 2021
The Effect of Pristine and Hydroxylated Oxide Surfaces on the Guaiacol HDO Process: A DFT Study
Fabian Morteo-Flores, Alberto Roldan
Physical Chemistry Chemical Physics : PCCP
|
January 18, 2019
A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe<sub>3</sub>S<sub>4</sub>{111} surface
Alberto Roldan, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP
|
April 27, 2017
A kinetic model of water adsorption, clustering and dissociation on the Fe<sub>3</sub>S<sub>4</sub>{001} surface
Alberto Roldan, Nora H de Leeuw
Physical Chemistry Chemical Physics : PCCP
|
December 21, 2022
Toward a new definition of surface energy for late transition metals
Alexandre Boucher, Glenn Jones, Alberto Roldan
Physical Chemistry Chemical Physics : PCCP
|
August 30, 2019
The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study
Julien Engel, Samantha Francis, Alberto Roldan
Faraday Discussions
|
February 10, 2017
Selective hydrogenation of CO on Fe<sub>3</sub>S<sub>4</sub>{111}: a computational study
Alberto Roldan, Nora H de Leeuw
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
July 7, 2020
Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors
Fabian Morteo-Flores, Julien Engel, Alberto Roldan
Chemical Communications (Cambridge, England)
|
June 17, 2016
Highlights from Faraday Discussion: Designing New Heterogeneous Catalysts, London, UK, April 2016
Nico Fischer, Haresh G Manyar, Alberto Roldan
Journal of Chemical Theory and Computation
|
February 25, 2025
Machine Learning Force Field for Optimization of Isolated and Supported Transition Metal Particles
Alexandre Boucher, Cameron Beevers, Bertrand Gauthier, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 30, 2015
Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu(111) surfaces
Saeedeh S Tafreshi, Alberto Roldan, Nora H de Leeuw
Page
of 6