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Ana L. Montero-Alejo - Publications

Affiliations: 
2007-2011 Departamento de Química Univeridad de la Habana 
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17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Montero-Cabrera LA, Montero-Alejo AL, Aspuru-Guzik A, García de la Vega JM, Piris M, Díaz-Fernández LA, Pérez-Badell Y, Guerra-Barroso A, Alfonso-Ramos JE, Rodríguez J, Fuentes ME, de Armas CM. Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties. The Journal of Chemical Physics. 160. PMID 38828812 DOI: 10.1063/5.0208809  0.355
2020 Castellanos-Águila JE, Lodeiro L, Menéndez-Proupin E, Montero-Alejo AL, Palacios P, Conesa JC, Wahnón P. Atomic-Scale Model and Electronic Structure of CuO/CHNHPbI Interfaces in Perovskite Solar Cells. Acs Applied Materials & Interfaces. 12: 44648-44657. PMID 32894942 DOI: 10.1021/Acsami.0C11187  0.373
2020 Hernández-Rodríguez EW, Escorcia AM, van der Kamp MW, Montero-Alejo AL, Caballero J. Multi-scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins. Journal of Computational Chemistry. PMID 32757375 DOI: 10.1002/Jcc.26392  0.336
2017 Montero-Alejo AL, Menéndez-Proupin E, Palacios P, Wahnón P, Conesa JC. Ferroelectric Domains May Lead to Two-Dimensional Confinement of Holes, but not of Electrons, in CH3NH3PbI3 Perovskite Journal of Physical Chemistry C. 121: 26698-26705. DOI: 10.1021/Acs.Jpcc.7B09625  0.374
2016 Gamboa-Carballo JJ, Melchor-Rodríguez K, Hernández-Valdés D, Enriquez‐Victorero C, Montero-Alejo AL, Gaspard S, Jáuregui-Haza UJ. Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditions Journal of Molecular Graphics & Modelling. 65: 83-93. PMID 26945637 DOI: 10.1016/J.Jmgm.2016.02.008  0.344
2016 Montero-Cabrera LA, Pérez-Badell Y, Piris M, Montero-Alejo AL, Vega JMGdl, Varandas AJC. Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission Molecular Physics. 114: 3650-3657. DOI: 10.1080/00268976.2016.1255799  0.436
2016 Montero-Alejo AL, Menéndez-Proupin E, Hidalgo-Rojas D, Palacios P, Wahnón P, Conesa JC. Modeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase Journal of Physical Chemistry C. 120: 7976-7986. DOI: 10.1021/Acs.Jpcc.6B01013  0.346
2014 Hernandez-Tamargo CE, Montero-Alejo AL, Pujals DC, Mikosch H, Hernández MP. Sulfur dimers adsorbed on Au(111) as building blocks for sulfur octomers formation: A density functional study. Journal of Chemical Physics. 141: 44713-44713. PMID 25084943 DOI: 10.1063/1.4890997  0.388
2014 Enriquez-Victorero C, Hernández-Valdés D, Montero-Alejo AL, Durimel A, Gaspard S, Jáuregui-Haza U. Theoretical study of γ-hexachlorocyclohexane and β-hexachlorocyclohexane isomers interaction with surface groups of activated carbon model. Journal of Molecular Graphics & Modelling. 51: 137-148. PMID 24907933 DOI: 10.1016/J.Jmgm.2014.05.004  0.308
2014 Menéndez-Proupin E, Delgado A, Montero-Alejo AL, Vega JMGdl. The absorption spectrum of C60 in n-hexane solution revisited: Fitted experiment and TDDFT/PCM calculations Chemical Physics Letters. 593: 72-76. DOI: 10.1016/J.Cplett.2013.12.067  0.341
2013 Hernández-Rodríguez EW, Montero-Alejo AL, López R, Sánchez-García E, Montero-Cabrera LA, de la Vega JM. Electron density deformations provide new insights into the spectral shift of rhodopsins. Journal of Computational Chemistry. 34: 2460-71. PMID 23983208 DOI: 10.1002/Jcc.23414  0.452
2012 Menéndez-Proupin E, Montero-Alejo AL, García de la Vega JM. Ultrathin carbon nanotube with single, double, and triple bonds. Physical Review Letters. 109: 105501. PMID 23005297 DOI: 10.1103/Physrevlett.109.105501  0.347
2012 Montero-Alejo AL, Menéndez-Proupin E, Fuentes ME, Delgado A, Montforts FP, Montero-Cabrera LA, García de la Vega JM. Electronic excitations of C60 aggregates. Physical Chemistry Chemical Physics : Pccp. 14: 13058-66. PMID 22890231 DOI: 10.1039/C2Cp41979C  0.397
2012 Hernández-Rodríguez EW, Sánchez-García E, Crespo-Otero R, Montero-Alejo AL, Montero LA, Thiel W. Understanding rhodopsin mutations linked to the retinitis pigmentosa disease: a QM/MM and DFT/MRCI study. The Journal of Physical Chemistry. B. 116: 1060-76. PMID 22126625 DOI: 10.1021/Jp2037334  0.381
2011 Montero-Alejo AL, Fuentes ME, Montero LA, De La Vega JMG. Coulomb and Exchange contributions to electronic excitations of benzene aggregates Chemical Physics Letters. 502: 271-276. DOI: 10.1016/J.Cplett.2010.12.056  0.466
2010 Montero-Alejo AL, Fuentes ME, Menéndez-Proupin E, Orellana W, Bunge CF, Montero LA, García De La Vega JM. Approximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes Physical Review B - Condensed Matter and Materials Physics. 81. DOI: 10.1103/Physrevb.81.235409  0.512
2007 Montero-Cabrera LA, Röhrig U, Padrón-Garcia JA, Crespo-Otero R, Montero-Alejo AL, Garcia de la Vega JM, Chergui M, Rothlisberger U. 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. The Journal of Chemical Physics. 127: 145102. PMID 17935446 DOI: 10.1063/1.2761869  0.425
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