| First principles calculations of the electronic and chemical properties of graphene, graphane, and graphene oxide JJ Hernández Rosas, RE Ramírez Gutiérrez, A Escobedo-Morales, ... Journal of Molecular Modeling 17 (5), 1133-1139, 2011 | 195 | 2011 |
| Adsorption and possible dissociation of glucose by the [BN fullerene-B 6]− magnetic nanocomposite. In silico studies EC Anota, MS Villanueva, E Shakerzadeh, M Castro Applied Nanoscience 8 (3), 455-465, 2018 | 91 | 2018 |
| Effect of homonuclear boron bonds in the adsorption of DNA nucleobases on boron nitride nanosheets ADO Muñoz, A Escobedo-Morales, E Shakerzadeh, EC Anota Journal of Molecular Liquids 322, 114951, 2021 | 87 | 2021 |
| Possibility of a magnetic [BN fullerene: B 6 cluster]− nanocomposite as a vehicle for the delivery of dapsone JC Ordaz, EC Anota, MS Villanueva, M Castro New Journal of Chemistry 41 (16), 8045-8052, 2017 | 86 | 2017 |
| Nitric oxide adsorption on non-stoichiometric boron nitride fullerene: structural stability, physicochemistry and drug delivery perspectives E Chigo-Anota, A Escobedo-Morales, H Hernández-Cocoletzi, ... Physica E: Low-dimensional Systems and Nanostructures 74, 538-543, 2015 | 83 | 2015 |
| Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study JC Escobar, MS Villanueva, AB Hernández, D Cortés-Arriagada, ... Journal of Molecular Graphics and Modelling 86, 27-34, 2019 | 80 | 2019 |
| Long range corrected-wPBE based analysis of the H 2 O adsorption on magnetic BC 3 nanosheets E Chigo-Anota, MA Alejandro, AB Hernández, JJS Torres, M Castro RSC Advances 6 (24), 20409-20421, 2016 | 73 | 2016 |
| A density functional theory analysis for the adsorption of the amine group on graphene and boron nitride nanosheets EC Anota, AR Juárez, M Castro, HH Cocoletzi Journal of Molecular Modeling 19 (1), 321-328, 2013 | 70 | 2013 |
| Stability and Electronic Properties of Armchair Boron Nitride/Carbon Nanotubes AR Juárez, EC Anota, HH Cocoletzi, JFS Ramírez, M Castro Fullerenes, Nanotubes, and Carbon Nanostructures 25 (12), 716-725, 2017 | 65 | 2017 |
| GGA-based analysis of the metformin adsorption on BN nanotubes EC Anota, GH Cocoletzi Physica E: Low-dimensional Systems and Nanostructures 56, 134-140, 2014 | 63 | 2014 |
| Adsorption of chitosan on BN nanotubes: A DFT investigation AR Juárez, EC Anota, HH Cocoletzi, AF Riveros Applied Surface Science 268, 259-264, 2013 | 60 | 2013 |
| DFT studies of the phenol adsorption on boron nitride sheets JMG Hernández, GH Cocoletzi, EC Anota Journal of Molecular Modeling 18 (1), 137-144, 2012 | 60 | 2012 |
| Acetylsalicylic acid interaction with Boron nitride nanostructures–A density functional analysis MCF Bautista, D Cortés-Arriagada, E Shakerzadeh, EC Anota Journal of Molecular Liquids 355, 118980, 2022 | 57 | 2022 |
| The Al, Ga and Sc dopants effect on the adsorption performance of B12N12 nanocluster toward pnictogen hydrides S Larki, E Shakerzadeh, EC Anota, R Behjatmanesh-Ardakani Chemical Physics 526, 110424, 2019 | 51 | 2019 |
| LDA approximation based analysis of the adsorption of O 3 by boron nitride sheet E Chigo Anota, H Hernández Cocoletzi, E Rubio Rosas The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 2011 | 50 | 2011 |
| Effect of Chemical Order in the Structural Stability and Physicochemical Properties of B 12 N 12 Fullerenes A Escobedo-Morales, L Tepech-Carrillo, A Bautista-Hernández, ... Scientific Reports 9 (1), 1-11, 2019 | 49 | 2019 |
| Exploring the potential use of pristine and metal-encapsulated B36N36 fullerenes in delivery of β-lapachone anticancer drug: DFT approach A Gholami, E Shakerzadeh, EC Anota Polyhedron 232, 116295, 2023 | 45 | 2023 |
| Design of the magnetic homonuclear bonds boron nitride nanosheets using DFT methods EC Anota, AB Hernández, AE Morales, M Castro Journal of Molecular Graphics and Modelling 74, 135-142, 2017 | 43 | 2017 |
| Non-covalent functionalization of hexagonal boron nitride nanosheets with guanine EC Anota, Y Tlapale, MS Villanueva, JAR Márquez Journal of Molecular Modeling 21 (8), 2015 (1)-(6), 2015 | 43 | 2015 |
| Ngn (Ng= Ne, Ar, Kr, Xe, and Rn; n= 1, 2) encapsulated porphyrin-like porous C24N24 fullerene: a quantum chemical study H Parsa, E Shakerzadeh, EC Anota Journal of Molecular Graphics and Modelling 108, 107986, 2021 | 42 | 2021 |
Martin Salazar VillanuevaFacultad de Ingeniería. Benemérita Universidad Autónoma de PueblaAdresse e-mail validée de correo.buap.mx
