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The Journal of Chemical Physics
|
June 10, 2019
Efficient preparation of TiO<sub>2</sub> nanoparticle models using interatomic potentials
Antoni Macià Escatllar, Ángel Morales-García, Francesc Illas, et al.
Journal of Molecular Modeling
|
June 15, 2007
Development of realistic models for Double Metal Cyanide catalyst active sites
Jacek C Wojdeł, Stefan T Bromley, Francesc Illas, et al.
The Journal of Chemical Physics
|
May 25, 2005
A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides
F Viñes, C Sousa, P Liu, et al.
The Journal of Chemical Physics
|
July 5, 2013
Theoretical assessment of graphene-metal contacts
Patanachai Janthon, Francesc Viñes, Sergey M Kozlov, et al.
The Journal of Physical Chemistry Letters
|
August 6, 2024
Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, et al.
The Journal of Chemical Physics
|
May 13, 2006
Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes
Livia Giordano, Javier Carrasco, Cristiana Di Valentin, et al.
Journal of Computational Chemistry
|
March 18, 2009
Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems
Pablo Rivero, Christoph Loschen, Ibério De P R Moreira, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
July 28, 2009
Stability of binary SAMs formed by omega-acid and alcohol functionalized thiol mixtures
Frederik Tielens, Vincent Humblot, Claire-Marie Pradier, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 25, 2015
Adsorption properties of trifluoroacetic acid on anatase (101) and (001) surfaces: a density functional theory study
Oriol Lamiel-Garcia, Daniel Fernandez-Hevia, Amador C Caballero, et al.
Nanoscale
|
April 26, 2019
Understanding the interplay between size, morphology and energy gap in photoactive TiO<sub>2</sub> nanoparticles
Ángel Morales-García, Antoni Macià Escatllar, Francesc Illas, et al.
Page
of 30
Search research articles
Search
Showing results (161-170 of 292) with videos related to
Sort By:
Page
of 30
The Journal of Chemical Physics
|
June 10, 2019
Efficient preparation of TiO<sub>2</sub> nanoparticle models using interatomic potentials
Antoni Macià Escatllar, Ángel Morales-García, Francesc Illas, et al.
Journal of Molecular Modeling
|
June 15, 2007
Development of realistic models for Double Metal Cyanide catalyst active sites
Jacek C Wojdeł, Stefan T Bromley, Francesc Illas, et al.
The Journal of Chemical Physics
|
May 25, 2005
A systematic density functional theory study of the electronic structure of bulk and (001) surface of transition-metals carbides
F Viñes, C Sousa, P Liu, et al.
The Journal of Chemical Physics
|
July 5, 2013
Theoretical assessment of graphene-metal contacts
Patanachai Janthon, Francesc Viñes, Sergey M Kozlov, et al.
The Journal of Physical Chemistry Letters
|
August 6, 2024
Size-Dependent Ab Initio Atomistic Thermodynamics from Cluster to Bulk: Application to Hydration of Titania Nanoparticles
Miguel Recio-Poo, Ángel Morales-García, Francesc Illas, et al.
The Journal of Chemical Physics
|
May 13, 2006
Vibrational and electron paramagnetic resonance properties of free and MgO supported AuCO complexes
Livia Giordano, Javier Carrasco, Cristiana Di Valentin, et al.
Journal of Computational Chemistry
|
March 18, 2009
Performance of plane-wave-based LDA+U and GGA+U approaches to describe magnetic coupling in molecular systems
Pablo Rivero, Christoph Loschen, Ibério De P R Moreira, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
July 28, 2009
Stability of binary SAMs formed by omega-acid and alcohol functionalized thiol mixtures
Frederik Tielens, Vincent Humblot, Claire-Marie Pradier, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 25, 2015
Adsorption properties of trifluoroacetic acid on anatase (101) and (001) surfaces: a density functional theory study
Oriol Lamiel-Garcia, Daniel Fernandez-Hevia, Amador C Caballero, et al.
Nanoscale
|
April 26, 2019
Understanding the interplay between size, morphology and energy gap in photoactive TiO<sub>2</sub> nanoparticles
Ángel Morales-García, Antoni Macià Escatllar, Francesc Illas, et al.
Page
of 30