If you made any changes in Pure, your changes will be visible here soon.

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 5 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

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Research Output 1996 2018

  • 1120 Citations
  • 13 h-Index
  • 50 Article
  • 2 Paper
  • 1 Chapter
6 Citations (Scopus)
Ground state
Density functional theory
ground state
7 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
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
9 Citations (Scopus)
Empirical Potential
Global Minimum
Local Minima
Discrete Fourier transforms
2 Citations (Scopus)

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., 11 Oct 2018, In : Journal of Physical Chemistry C. p. 23143-23152 10 p.

Research output: Contribution to journalArticle

optical spectrum
Doping (additives)

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