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Illas

Showing results (21-30 of 292) with videos related to

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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
Physical Chemistry Chemical Physics : PCCP|June 1, 2007
Similarities and differences on the molecular mechanism of CO oxidation on Rh(111) and bimetallic RhCu(111) surfacesSilvia González, Carmen Sousa, Francesc Illas
The Journal of Chemical Physics|July 23, 2004
Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulatorsIlaria Ciofini, Francesc Illas, Carlo Adamo
Journal of Computational Chemistry|May 4, 2018
Electronic and structural properties of Li<sub>n</sub> @Be<sub>2</sub> B<sub>8</sub> (n = 1-14) and Li<sub>n</sub> @Be<sub>2</sub> B<sub>36</sub> (n = 1-21) nanoflakes shed light on possible anode materials for Li-based batteriesMoein Goodarzi, Fariba Nazari, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|January 12, 2026
Computational insights into the structural and electronic properties of first-row transition metal-doped In<sub>2</sub>O<sub>3</sub> systemsLing Meng, 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
The Journal of Chemical Physics|May 20, 2009
Enhanced magnetic moments of Fe clusters supported on MgO/Fe(001) ultrathin filmsUmberto Martinez, Gianfranco Pacchioni, Francesc Illas
Pageof 30

Showing results (21-30 of 292) with videos related to

Sort By:
Pageof 30
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
Physical Chemistry Chemical Physics : PCCP|June 1, 2007
Similarities and differences on the molecular mechanism of CO oxidation on Rh(111) and bimetallic RhCu(111) surfacesSilvia González, Carmen Sousa, Francesc Illas
The Journal of Chemical Physics|July 23, 2004
Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulatorsIlaria Ciofini, Francesc Illas, Carlo Adamo
Journal of Computational Chemistry|May 4, 2018
Electronic and structural properties of Li<sub>n</sub> @Be<sub>2</sub> B<sub>8</sub> (n = 1-14) and Li<sub>n</sub> @Be<sub>2</sub> B<sub>36</sub> (n = 1-21) nanoflakes shed light on possible anode materials for Li-based batteriesMoein Goodarzi, Fariba Nazari, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|January 12, 2026
Computational insights into the structural and electronic properties of first-row transition metal-doped In<sub>2</sub>O<sub>3</sub> systemsLing Meng, 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
The Journal of Chemical Physics|May 20, 2009
Enhanced magnetic moments of Fe clusters supported on MgO/Fe(001) ultrathin filmsUmberto Martinez, Gianfranco Pacchioni, Francesc Illas
Pageof 30