Ana L. Montero‐Alejo

Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions

Juan José Gamboa‐Carballo, Kenia Melchor-Rodríguez, Daniel Hernández‐Valdés et al. · Journal of Molecular Graphics and Modelling · 2016 · 29 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH₃NH₃PbI₃: The Case of Tetragonal Phase

Ana L. Montero‐Alejo, Eduardo Menéndez‐Proupin, Diego Hidalgo‐Rojas et al. · The Journal of Physical Chemistry C · 2016 · 26 citations · Full text

Natural Sciences, Materials Science, Physics +17

Atomic-Scale Model and Electronic Structure of Cu₂O/CH₃NH₃PbI₃Interfaces in Perovskite Solar Cells

J.E. Castellanos-Águila, Lucas Lodeiro, Eduardo Menéndez‐Proupin et al. · ACS Applied Materials & Interfaces · 2020 · 23 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Methodological Issues in First-Principle Calculations of CH₃NH₃PbI₃ Perovskite Surfaces: Quantum Confinement and Thermal Motion

Lucas Lodeiro, Felipe Barría-Cáceres, Karla Jiménez et al. · ACS Omega · 2020 · 21 citations · Full text

Natural Sciences, Materials Science, Physics +17

CNDOL: A fast and reliable method for the calculation of electronic properties of very large systems. Applications to retinal binding pocket in rhodopsin and gas phase porphine

Luís A. Montero, Ute F. Röhrig, Juan Alexander Padrón‐García et al. · The Journal of Chemical Physics · 2007 · 20 citations · Full text

Natural Sciences, Chemistry, Physics +17