Esther Agacino‐Valdés

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

[Cu(H2O) n ]2+ (n = 1–6) complexes in solution phase: a DFT hierarchical study

Emir A. Galván-García, Esther Agacino‐Valdés, Marco Franco‐Pérez et al. · Theoretical Chemistry Accounts · 2017 · 26 citations

Materials Science, Inorganic Chemistry, Engineering +8

Brønsted Sites on Acid-Treated Montmorillonite: A Theoretical Study with Probe Molecules

Claudia Briones‐Jurado, Esther Agacino‐Valdés · The Journal of Physical Chemistry A · 2009 · 20 citations

Engineering, Computational Chemistry, Chemistry +16

Experimental and theoretical study of the conformational analysis of hydrochlorothiazide

Juan Manuel Aceves-Hernández, Esther Agacino‐Valdés, M. Da Paz et al. · Journal of Molecular Structure · 2006 · 13 citations

Theoretical Study, Engineering, Hydrogen-bonded Liquid +6

Quantum mechanical approach to isoleucine+OH gas phase reaction. Mechanism and kinetics

Annia Galano, J. Raúl Alvarez‐Idaboy, Esther Agacino‐Valdés et al. · Journal of Molecular Structure THEOCHEM · 2004 · 13 citations

Engineering, Physics, Reaction Process +11