Roberto Mejía-Olvera

Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems

Patrizia Calaminici, Florian Janetzko, Andreas M. Köster et al. · The Journal of Chemical Physics · 2007 · 296 citations

Engineering, Computational Chemistry, Chemistry +16

DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applications

Leslie-Fernanda Velázquez-López, Sandy-María Pacheco-Ortin, Roberto Mejía-Olvera et al. · Journal of Molecular Modeling · 2019 · 38 citations

Graphene Nanomeshes, Chemical Engineering, Nitrogen/boron Doped-graphene +10

Molecular dynamics and electronic structure study of neutral, cationic and anionic (Fe3O4)1–5 clusters

Roberto Mejía-Olvera, J. Ulises Reveles, Sandy Maria Pacheco‐Ortín et al. · Chemical Physics Letters · 2018 · 15 citations

Materials Science, Inorganic Chemistry, Cluster Science +6

Structures, Frequencies, and Energy Properties of Small Neutral, Cationic, and Anionic Niobium Clusters

Patrizia Calaminici, Roberto Mejía-Olvera · The Journal of Physical Chemistry C · 2011 · 12 citations

Engineering, Hexamer Niobium Clusters, Computational Chemistry +18