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Francesc Illas

Showing results (11-20 of 234) with videos related to

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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
Physical Chemistry Chemical Physics : PCCP|September 4, 2014
Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNCNarjes Ansari, Fariba Nazari, Francesc Illas
The Journal of Physical Chemistry. A|January 23, 2014
Theoretical study of hydrogen permeation through mixed NiO-MgO films supported on Mo(100): role of the oxide-metal interfaceDaniel Torres, Francesc Illas, Ping Liu
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
Physical Chemistry Chemical Physics : PCCP|April 25, 2015
Theoretical study of electronic and tribological properties of h-BNC2/graphene, h-BNC2/h-BN and h-BNC2/h-BNC2 bilayersNarjes Ansari, Fariba Nazari, Francesc Illas
Journal of Chemical Theory and Computation|February 3, 2023
Artificial Neural Network-Derived Unified Six-Dimensional Potential Energy Surface for Tetra Atomic Isomers of the Biogenic [H, C, N, O] SystemFatemeh Arab, Fariba Nazari, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|January 14, 2017
Influence of NO and (NO)<sub>2</sub> adsorption on the properties of Fe-N4 porphyrin-like graphene sheetsElham Ashori, Fariba Nazari, Francesc Illas
Pageof 24

Showing results (11-20 of 234) with videos related to

Sort By:
Pageof 24
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
Physical Chemistry Chemical Physics : PCCP|September 4, 2014
Line defects and induced doping effects in graphene, hexagonal boron nitride and hybrid BNCNarjes Ansari, Fariba Nazari, Francesc Illas
The Journal of Physical Chemistry. A|January 23, 2014
Theoretical study of hydrogen permeation through mixed NiO-MgO films supported on Mo(100): role of the oxide-metal interfaceDaniel Torres, Francesc Illas, Ping Liu
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
Physical Chemistry Chemical Physics : PCCP|April 25, 2015
Theoretical study of electronic and tribological properties of h-BNC2/graphene, h-BNC2/h-BN and h-BNC2/h-BNC2 bilayersNarjes Ansari, Fariba Nazari, Francesc Illas
Journal of Chemical Theory and Computation|February 3, 2023
Artificial Neural Network-Derived Unified Six-Dimensional Potential Energy Surface for Tetra Atomic Isomers of the Biogenic [H, C, N, O] SystemFatemeh Arab, Fariba Nazari, Francesc Illas
Physical Chemistry Chemical Physics : PCCP|January 14, 2017
Influence of NO and (NO)<sub>2</sub> adsorption on the properties of Fe-N4 porphyrin-like graphene sheetsElham Ashori, Fariba Nazari, Francesc Illas
Pageof 24