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Physical Chemistry Chemical Physics : PCCP
|
June 22, 2013
Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces
José Roberto dos Santos Politi, Francesc Viñes, Jose A Rodriguez, et al.
The Journal of Chemical Physics
|
December 3, 2008
Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems
Pablo Rivero, Ibério de P R Moreira, Francesc Illas, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 22, 2024
Understanding the Chemical Bond in Semiconductor/MXene Composites: TiO<sub>2</sub> Clusters Anchored on the Ti<sub>2</sub>C MXene Surface
Néstor García-Romeral, Masoomeh Keyhanian, Ángel Morales-García, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2018
Tuning transition metal carbide activity by surface metal alloying: a case study on CO<sub>2</sub> capture and activation
Martí López, Luke Broderick, John J Carey, et al.
Journal of Computational Chemistry
|
February 5, 2017
Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides
Francesc Viñes, Oriol Lamiel-García, Kyoung Chul Ko, et al.
Angewandte Chemie (International Ed. in English)
|
December 24, 2025
Selective Hydrodemethylation of Methylalkylbenzenes on Potassium Hydride
Puyang Tian, Marc Figueras-Valls, Fei Chang, et al.
Journal of the American Chemical Society
|
June 18, 2009
Desulfurization of thiophene on Au/TiC(001): Au-C interactions and charge polarization
José A Rodriguez, Ping Liu, Yoshiro Takahashi, et al.
Journal of the American Chemical Society
|
February 11, 2010
Role of Au-C interactions on the catalytic activity of au nanoparticles supported on TiC(001) toward molecular oxygen dissociation
José A Rodríguez, Leticia Feria, Tomas Jirsak, et al.
Chemical Society Reviews
|
August 20, 2009
Approaching nanoscale oxides: models and theoretical methods
Stefan T Bromley, Ibério de P R Moreira, Konstantin M Neyman, et al.
Journal of Molecular Modeling
|
September 12, 2014
Comparative density functional theory based study of the reactivity of Cu, Ag, and Au nanoparticles and of (111) surfaces toward CO oxidation and NO2 reduction
B Pascucci, G S Otero, P G Belelli, et al.
Page
of 30
Search research articles
Search
Showing results (191-200 of 292) with videos related to
Sort By:
Page
of 30
Physical Chemistry Chemical Physics : PCCP
|
June 22, 2013
Atomic and electronic structure of molybdenum carbide phases: bulk and low Miller-index surfaces
José Roberto dos Santos Politi, Francesc Viñes, Jose A Rodriguez, et al.
The Journal of Chemical Physics
|
December 3, 2008
Reliability of range-separated hybrid functionals for describing magnetic coupling in molecular systems
Pablo Rivero, Ibério de P R Moreira, Francesc Illas, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 22, 2024
Understanding the Chemical Bond in Semiconductor/MXene Composites: TiO<sub>2</sub> Clusters Anchored on the Ti<sub>2</sub>C MXene Surface
Néstor García-Romeral, Masoomeh Keyhanian, Ángel Morales-García, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 18, 2018
Tuning transition metal carbide activity by surface metal alloying: a case study on CO<sub>2</sub> capture and activation
Martí López, Luke Broderick, John J Carey, et al.
Journal of Computational Chemistry
|
February 5, 2017
Systematic study of the effect of HSE functional internal parameters on the electronic structure and band gap of a representative set of metal oxides
Francesc Viñes, Oriol Lamiel-García, Kyoung Chul Ko, et al.
Angewandte Chemie (International Ed. in English)
|
December 24, 2025
Selective Hydrodemethylation of Methylalkylbenzenes on Potassium Hydride
Puyang Tian, Marc Figueras-Valls, Fei Chang, et al.
Journal of the American Chemical Society
|
June 18, 2009
Desulfurization of thiophene on Au/TiC(001): Au-C interactions and charge polarization
José A Rodriguez, Ping Liu, Yoshiro Takahashi, et al.
Journal of the American Chemical Society
|
February 11, 2010
Role of Au-C interactions on the catalytic activity of au nanoparticles supported on TiC(001) toward molecular oxygen dissociation
José A Rodríguez, Leticia Feria, Tomas Jirsak, et al.
Chemical Society Reviews
|
August 20, 2009
Approaching nanoscale oxides: models and theoretical methods
Stefan T Bromley, Ibério de P R Moreira, Konstantin M Neyman, et al.
Journal of Molecular Modeling
|
September 12, 2014
Comparative density functional theory based study of the reactivity of Cu, Ag, and Au nanoparticles and of (111) surfaces toward CO oxidation and NO2 reduction
B Pascucci, G S Otero, P G Belelli, et al.
Page
of 30