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Francesc Illas

Showing results (1-10 of 234) with videos related to

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Journal of Computational Chemistry|January 12, 2017
Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitalsFrancesc Viñes, Francesc Illas
The Journal of Physical Chemistry. B|July 11, 2006
On the performance of Au(111) for ethylene epoxidation: a density functional studyDaniel Torres, Francesc Illas
The Journal of Physical Chemistry. B|June 28, 2006
A systematic study of the structure and bonding of halogens on low-index transition metal surfacesAnnapaola Migani, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|February 22, 2007
Energetics and structures of the initial stages of nucleation of (SiO(2))(N) species: possible routes to highly symmetrical tetrahedral clustersStefan T Bromley, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|November 24, 2011
Activation of noble metals on metal-carbide surfaces: novel catalysts for CO oxidation, desulfurization and hydrogenation reactionsJosé A Rodriguez, Francesc Illas
The Journal of Physical Chemistry. B|July 28, 2017
Matildite Contact with Media: First-Principles Study of AgBiS<sub>2</sub> Surfaces and Nanoparticle MorphologyFrancesc Viñes, Gerasimos Konstantatos, Francesc Illas
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 6, 2025
Computational Investigation of Structure and Bonding of In<sub>2</sub>O<sub>3</sub> Surfaces: Relevance to CO<sub>2</sub> HydrogenationSamadhan Kapse, Francesc Viñes, Francesc Illas
The Journal of Physical Chemistry. A|February 12, 2009
Active sites for H2 adsorption and activation in Au/TiO2 and the role of the supportMercè Boronat, Francesc Illas, Avelino Corma
Physical Chemistry Chemical Physics : PCCP|March 13, 2018
On the prediction of core level binding energies in molecules, surfaces and solidsFrancesc Viñes, Carmen Sousa, Francesc Illas
The Journal of Physical Chemistry. B|July 21, 2006
Theoretical study of CO and NO chemisorption on RhCu(111) surfacesSilvia González, Carmen Sousa, Francesc Illas
Pageof 24

Showing results (1-10 of 234) with videos related to

Sort By:
Pageof 24
Journal of Computational Chemistry|January 12, 2017
Electronic structure of stoichiometric and reduced ZnO from periodic relativistic all electron hybrid density functional calculations using numeric atom-centered orbitalsFrancesc Viñes, Francesc Illas
The Journal of Physical Chemistry. B|July 11, 2006
On the performance of Au(111) for ethylene epoxidation: a density functional studyDaniel Torres, Francesc Illas
The Journal of Physical Chemistry. B|June 28, 2006
A systematic study of the structure and bonding of halogens on low-index transition metal surfacesAnnapaola Migani, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|February 22, 2007
Energetics and structures of the initial stages of nucleation of (SiO(2))(N) species: possible routes to highly symmetrical tetrahedral clustersStefan T Bromley, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|November 24, 2011
Activation of noble metals on metal-carbide surfaces: novel catalysts for CO oxidation, desulfurization and hydrogenation reactionsJosé A Rodriguez, Francesc Illas
The Journal of Physical Chemistry. B|July 28, 2017
Matildite Contact with Media: First-Principles Study of AgBiS<sub>2</sub> Surfaces and Nanoparticle MorphologyFrancesc Viñes, Gerasimos Konstantatos, Francesc Illas
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|August 6, 2025
Computational Investigation of Structure and Bonding of In<sub>2</sub>O<sub>3</sub> Surfaces: Relevance to CO<sub>2</sub> HydrogenationSamadhan Kapse, Francesc Viñes, Francesc Illas
The Journal of Physical Chemistry. A|February 12, 2009
Active sites for H2 adsorption and activation in Au/TiO2 and the role of the supportMercè Boronat, Francesc Illas, Avelino Corma
Physical Chemistry Chemical Physics : PCCP|March 13, 2018
On the prediction of core level binding energies in molecules, surfaces and solidsFrancesc Viñes, Carmen Sousa, Francesc Illas
The Journal of Physical Chemistry. B|July 21, 2006
Theoretical study of CO and NO chemisorption on RhCu(111) surfacesSilvia González, Carmen Sousa, Francesc Illas
Pageof 24