Hélio A. Duarte

An Efficient <i>a Posteriori</i> Treatment for Dispersion Interaction in Density-Functional-Based Tight Binding

Lyuben Zhechkov, Thomas Heine, Serguei Patchkovskii et al. · Journal of Chemical Theory and Computation · 2005 · 292 citations

Dft Methods, Engineering, Computational Chemistry +16

Structural, Electronic, and Mechanical Properties of Single-Walled Halloysite Nanotube Models

Luciana Guimarães, Andrey N. Enyashin, Gotthard Seifert et al. · The Journal of Physical Chemistry C · 2010 · 274 citations

Engineering, Single-walled Halloysite Nanotubes, Mechanical Engineering +20

Density-functional based tight-binding: an approximate DFT method

Augusto F. Oliveira, Gotthard Seifert, Thomas Heine et al. · Journal of the Brazilian Chemical Society · 2009 · 230 citations · Full text

Mechanism of anion retention from EXAFS and density functional calculations: arsenic (V) adsorbed on gibbsite

Ana Cláudia Queiroz Ladeira, Virgínia S.T. Ciminelli, Hélio A. Duarte et al. · Geochimica et Cosmochimica Acta · 2001 · 208 citations

Materials Science, Solid-state Ionic, Engineering +8

Imogolite Nanotubes: Stability, Electronic, and Mechanical Properties

Luciana Guimarães, Andrey N. Enyashin, Johannes Frenzel et al. · ACS Nano · 2007 · 199 citations