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Resultado de la investigación 2007 2017

  • 178 Citas
  • 6 Índice-h
  • 17 Article
  • 1 Chapter
  • 1 Review article
1 Citas

Adsorption/desorption process of formaldehyde onto iron doped graphene: A theoretical exploration from density functional theory calculations

Cortés-Arriagada, D., Villegas-Escobar, N., Miranda-Rojas, S. & Toro-Labbé, A. 2017 En : Physical Chemistry Chemical Physics. 19, 6, p. 4179-4189 11 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

Graphite
Formaldehyde
Density functional theory
Desorption
Iron

Oxidized and Si-doped graphene: Emerging adsorbents for removal of dioxane

Cortés-Arriagada, D., Miranda-Rojas, S., Ortega, D. E. & Toro-Labbé, A. 2017 En : Physical Chemistry Chemical Physics. 19, 27, p. 17587-17597 11 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

adsorbents
emerging
graphene
Graphite
Adsorbents

Palmitic acid and hexadecylamine molecules assdsorbed on titania surface in hybrid composites. Effect of surfactants using density functional theory

Orellana, C., Mendizábal, F., González, G., Miranda-Rojas, S. & Barrientos, L. 15 jun 2017 En : Computational and Theoretical Chemistry. 1110, p. 50-59 10 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

palmitic acid
hybrid composites
titanium
surfactants
density functional theory
1 Citas

Catalytic aspects of metallophthalocyanines adsorbed on gold-electrode. Theoretical exploration of the binding nature role

Miranda-Rojas, S., Sierra-Rosales, P., Muñoz-Castro, A., Arratia-Pérez, R., Zagal, J. H. & Mendizábal, F. 2016 En : Physical Chemistry Chemical Physics. 18, 42, p. 29516-29525 10 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

gold
electrodes
Gold
Electrodes
interactions
3 Citas

Surface on Surface. Survey of the Monolayer Gold-Graphene Interaction from Au12 and PAH via Relativistic DFT Calculations

Muñoz-Castro, A., Gomez, T., Carey, D. M. L., Miranda-Rojas, S., Mendizabal, F., Zagal, J. H. & Arratia-Perez, R. 21 abr 2016 En : Journal of Physical Chemistry C. 120, 13, p. 7358-7364 7 p.

Resultado de la investigación: Research - revisión exhaustivaArticle

Graphite
Hydrocarbons
Discrete Fourier transforms
Gold
Monolayers