Lista de obras -

A theoretical indicator of transition-metal nanoclusters applied in the carbon nanotube nucleation process: a DFT study

artículo científico publicado en 2020

A theoretical investigation of the structural and electronic properties of 55-atom nanoclusters: The examples of Y-Tc and Pt

artículo científico publicado en 2016

Ab Initio Investigation of CO2 Adsorption on 13-Atom 4d Clusters

scientific article published on 21 January 2020

Adsorption of NO on the Rh13, Pd13, Ir13, and Pt13 Clusters: A Density Functional Theory Investigation

Band alignment and charge transfer predictions of ZnO/ZnX (X = S, Se or Te) interfaces applied to solar cells: a PBE+U theoretical study.

artículo científico publicado en 2018

Bare versus protected tetrairidium clusters by density functional theory

artículo científico publicado en 2018

CO, NO, and SO adsorption on Ni nanoclusters: a DFT investigation

scientific article published on 30 April 2020

Density functional investigation of the adsorption effects of PH3 and SH2 on the structure stability of the Au55 and Pt55 nanoclusters

artículo científico publicado en 2017

Density functional theory investigation of3d,4d, and5d13-atom metal clusters

scholarly article in Physical Review B, vol. 81 no. 15, April 2010

Evolution of the structural, energetic, and electronic properties of the 3d, 4d, and 5d transition-metal clusters (30 TMn systems for n = 2-15): a density functional theory investigation.

artículo científico publicado en 2017

Platinum-Based Nanoalloys PtnTM55–n (TM = Co, Rh, Au): A Density Functional Theory Investigation

The role of charge states in the atomic structure of Cu(n) and Pt(n) (n = 2-14 atoms) clusters: a DFT investigation

artículo científico publicado en 2014

The role of electron localization in the atomic structure of transition-metal 13-atom clusters: the example of Co13, Rh13, and Hf13

artículo científico publicado en 2011

The simultaneous recognition mechanism of cations and anions using macrocyclic-iodine structures: insights from dispersion-corrected DFT calculations