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  • 4 Similar Profiles
Electronic properties Chemical Compounds
Atoms Chemical Compounds
Discrete Fourier transforms Chemical Compounds
Density functional theory Chemical Compounds
Band structure Chemical Compounds
electronics Physics & Astronomy
orbitals Physics & Astronomy
Ground state Chemical Compounds

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Research Output 1996 2018

  • 1096 Citations
  • 13 h-Index
  • 50 Article
  • 2 Paper
  • 1 Chapter
5 Citations (Scopus)
Isomers
Ground state
isomers
Density functional theory
ground state
2 Citations (Scopus)

CO<inf>2</inf>adsorption on gas-phase Cu<inf>4-:X</inf>Pt<inf>x</inf>(x = 0-4) clusters: A DFT study

Gálvez-González, L. E., Juárez-Sánchez, J. O., Pacheco-Contreras, R., Garzón, I. L., Paz-Borbón, L. O. & Posada-Amarillas, A., 1 Jan 2018, In : Physical Chemistry Chemical Physics. p. 17071-17080 10 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Ground state
Gases
Isomers
vapor phases

Electronic structure and optical properties of the new β-CdCr<inf>2</inf>O<inf>4</inf>phase

Núñez-González, R., Antúnez-García, J., Durán, A., Galván, D. H. & Posada-Amarillas, A., 1 Jul 2018, In : Computational Materials Science. p. 405-410 6 p.

Research output: Contribution to journalArticle

Electronic Structure
Band structure
Optical Properties
Electronic structure
Optical properties
8 Citations (Scopus)
Empirical Potential
Global Minimum
Local Minima
Discrete Fourier transforms
Atoms

TDDFT Study of the Optical Spectra of Free and Supported Binary Coinage Metal Hexamers: Effect of Doping and Support

Luque-Ceballos, J. C., Sementa, L., Aprà, E., Fortunelli, A. & Posada-Amarillas, A., 1 Jan 2018, In : Journal of Physical Chemistry C.

Research output: Contribution to journalArticle

Coinage
optical spectrum
Metals
Doping (additives)
Substrates

Human Resources Training

Adsorción de co sobre cúmulos de cu6-xnix (x=0,3,6)

Author: Carlos Emiliano, B. G. & Posada Amarillas, A., 2019

Student thesis: Master's Thesis

"Cálculo de propiedades ópticas de nanomateriales fotocatalíticos mediante tddft"

Author: Jonathan Casildo, L. C. & Posada Amarillas, A., 2019

Student thesis: Doctoral Thesis

"Cálculos dft en dímeros de metales nobles y de transición".

Author: Alvaro Posada, B. & Posada Amarillas, A., 2013

Student thesis: Bachelor Thesis

"Estudios quimicocuánticos de nanopartículas semiconductoras en fase gas"

Author: Jose Octavio, J. S. & Posada Amarillas, A., 2015

Student thesis: Doctoral Thesis