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Illas

Showing results (81-90 of 292) with videos related to

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Physical Chemistry Chemical Physics : PCCP|January 5, 2016
Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case exampleHèctor Prats, Pablo Gamallo, Ramón Sayós, et al.
Physical Chemistry Chemical Physics : PCCP|April 29, 2010
Monitoring the interaction of adsorbates on metal surfaces by surface site engineering: the case of ethoxy on Cu, Pd, Ag and Au regular and stepped surfacesJuan Radilla, Mercé Boronat, Avelino Corma, et al.
Chemical Communications (Cambridge, England)|November 21, 2007
On the activation of molecular hydrogen by gold: a theoretical approximation to the nature of potential active sitesAvelino Corma, Mercedes Boronat, Silvia González, et al.
Physical Review. B, Condensed Matter|October 15, 1995
Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)Clotet, Ricart, Rubio, et al.
Journal of Chemical Theory and Computation|November 29, 2017
Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface PropertiesLorena Vega, Judit Ruvireta, Francesc Viñes, et al.
Physical Chemistry Chemical Physics : PCCP|July 28, 2018
Robustness of surface activity electronic structure-based descriptors of transition metalsLorena Vega, Biel Martínez, Francesc Viñes, et al.
The Journal of Chemical Physics|October 23, 2012
Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silicaM A Zwijnenburg, F Illas, S T Bromley
Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Electric field induced electron transfer at the adsorbate-surface interface. Effect of the type of metal surfaceAnnapaola Migani, Carmen Sousa, Fausto Sanz, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|October 18, 2023
Role of N Doping in the Reduction of Titania NanostructuresElena R Remesal, Ángel Morales-García, Francesc Illas
Journal of Chemical Theory and Computation|October 21, 2025
Correction to "Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic"Yongpeng Yang, Jingli Han, Francesc Viñes, et al.
Pageof 30

Showing results (81-90 of 292) with videos related to

Sort By:
Pageof 30
Physical Chemistry Chemical Physics : PCCP|January 5, 2016
Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case exampleHèctor Prats, Pablo Gamallo, Ramón Sayós, et al.
Physical Chemistry Chemical Physics : PCCP|April 29, 2010
Monitoring the interaction of adsorbates on metal surfaces by surface site engineering: the case of ethoxy on Cu, Pd, Ag and Au regular and stepped surfacesJuan Radilla, Mercé Boronat, Avelino Corma, et al.
Chemical Communications (Cambridge, England)|November 21, 2007
On the activation of molecular hydrogen by gold: a theoretical approximation to the nature of potential active sitesAvelino Corma, Mercedes Boronat, Silvia González, et al.
Physical Review. B, Condensed Matter|October 15, 1995
Performance of correlation functionals in ab initio chemisorption cluster-model calculations: Alkali metals on Si(111)Clotet, Ricart, Rubio, et al.
Journal of Chemical Theory and Computation|November 29, 2017
Jacob's Ladder as Sketched by Escher: Assessing the Performance of Broadly Used Density Functionals on Transition Metal Surface PropertiesLorena Vega, Judit Ruvireta, Francesc Viñes, et al.
Physical Chemistry Chemical Physics : PCCP|July 28, 2018
Robustness of surface activity electronic structure-based descriptors of transition metalsLorena Vega, Biel Martínez, Francesc Viñes, et al.
The Journal of Chemical Physics|October 23, 2012
Long range coupling between defect centres in inorganic nanostructures: valence alternation pairs in nanoscale silicaM A Zwijnenburg, F Illas, S T Bromley
Physical Chemistry Chemical Physics : PCCP|October 22, 2005
Electric field induced electron transfer at the adsorbate-surface interface. Effect of the type of metal surfaceAnnapaola Migani, Carmen Sousa, Fausto Sanz, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|October 18, 2023
Role of N Doping in the Reduction of Titania NanostructuresElena R Remesal, Ángel Morales-García, Francesc Illas
Journal of Chemical Theory and Computation|October 21, 2025
Correction to "Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic"Yongpeng Yang, Jingli Han, Francesc Viñes, et al.
Pageof 30