Ana Lilian Montero-Alejo
Ana Lilian Montero-Alejo
Facultad de ciencias (FCNMM), Universidad Tecnológica Metropolitana, Chile
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Quantum mechanical model for Maya Blue
ME Fuentes, B Peña, C Contreras, AL Montero, R Chianelli, M Alvarado, ...
International Journal of Quantum Chemistry 108 (10), 1664-1673, 2008
Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase
AL Montero-Alejo, E Menéndez-Proupin, D Hidalgo-Rojas, P Palacios, ...
The Journal of Physical Chemistry C 120 (15), 7976-7986, 2016
Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions
JJ Gamboa-Carballo, K Melchor-Rodríguez, D Hernández-Valdés, ...
Journal of Molecular Graphics and Modelling 65, 83-93, 2016
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
LA Montero-Cabrera, U Röhrig, JA Padrón-Garcia, R Crespo-Otero, ...
The Journal of chemical physics 127 (14), 2007
Theoretical study of γ-hexachlorocyclohexane and β-hexachlorocyclohexane isomers interaction with surface groups of activated carbon model
C Enriquez-Victorero, D Hernández-Valdés, AL Montero-Alejo, A Durimel, ...
Journal of Molecular Graphics and Modelling 51, 137-148, 2014
Understanding Rhodopsin Mutations Linked to the Retinitis pigmentosa Disease: a QM/MM and DFT/MRCI Study
EW Hernández-Rodríguez, E Sánchez-García, R Crespo-Otero, ...
The Journal of Physical Chemistry B 116 (3), 1060-1076, 2012
The absorption spectrum of C60 in n-hexane solution revisited: Fitted experiment and TDDFT/PCM calculations
E Menéndez-Proupin, A Delgado, AL Montero-Alejo, JMG De La Vega
Chemical Physics Letters 593, 72-76, 2014
Ab initio modelling of crosslinking in polymers. A case of chains with furan rings
AL Montero, LA Montero, R Martínez, S Spange
Journal of Molecular Structure: THEOCHEM 770 (1-3), 99-106, 2006
Atomic-Scale Model and Electronic Structure of Cu2O/CH3NH3PbI3 Interfaces in Perovskite Solar Cells
JE Castellanos-Aguila, L Lodeiro, E Menendez-Proupin, ...
ACS Applied Materials & Interfaces 12 (40), 44648-44657, 2020
Influence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight
G García, P Palacios, E Menéndez-Proupin, AL Montero-Alejo, ...
Scientific reports 8 (1), 1-12, 2018
Synthesis of 5-Acetoxymethyl-and 5-Hydroxymethyl-2-vinyl-furan
A Mehner, AL Montero, R Martinez, S Spange
Molecules 12 (3), 634-640, 2007
Electronic excitations of C 60 aggregates
AL Montero-Alejo, E Menéndez-Proupin, ME Fuentes, A Delgado, ...
Physical Chemistry Chemical Physics 14 (37), 13058-13066, 2012
Ferroelectric Domains May Lead to Two-Dimensional Confinement of Holes, but not of Electrons, in CH3NH3PbI3 Perovskite
AL Montero-Alejo, E Menéndez-Proupin, P Palacios, P Wahnón, ...
The Journal of Physical Chemistry C 121 (48), 26698-26705, 2017
Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes
AL Montero-Alejo, ME Fuentes, E Menéndez-Proupin, W Orellana, ...
Physical Review B 81 (23), 235409, 2010
Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion
L Lodeiro, F Barría-Cáceres, K Jiménez, R Contreras, AL Montero-Alejo, ...
ACS omega 5 (45), 29477-29491, 2020
A study of the cis–trans isomerization preference of N-alkylated peptides containing phosphorus in the side chain and backbone
AF De la Torre, A Ali, O Concepcion, AL Montero-Alejo, FM Muñiz, ...
New Journal of Chemistry 43 (32), 12804-12813, 2019
Improved synthesis of the chrysomelid pheromone (6R, 7S)-(+)-himachala-9, 11-diene via spontaneous bromination and didehydrobromination of 2, 6, 6, 9-tetramethyl-bicyclo [5.4 …
GH Jimenez-Aleman, T Schöner, AL Montero-Alejo, W Brandt, W Boland
Arkivoc, 371-378, 2012
A computational approach to the synthesis of 1, 3, 5-thiadiazinane-2-thiones in aqueous medium: theoretical evidence for water-promoted heterocyclization
J Coro, R Alvarez-Puebla, AL Montero, M Suárez, N Martin, ...
Journal of molecular modeling 14, 641-647, 2008
Sulfur dimers adsorbed on Au (111) as building blocks for sulfur octomers formation: A density functional study
CE Hernandez-Tamargo, AL Montero-Alejo, DC Pujals, H Mikosch, ...
The Journal of Chemical Physics 141 (4), 2014
Electron density deformations provide new insights into the spectral shift of rhodopsins
EW Hernández‐Rodríguez, AL Montero‐Alejo, R López, ...
Journal of Computational Chemistry 34 (28), 2460-2471, 2013
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Artículos 1–20