Luís A. Montero

University of Havana — CU

Physics and Astronomy · Physical Sciences

22h-index1.6kcitations144works0.42yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Advanced Chemical Physics Studies(33), Computational Drug Discovery Methods(18), Photochemistry and Electron Transfer Studies(17), Free Radicals and Antioxidants(17), Crystallography and molecular interactions(13)

Publications144 total

Oligothiophene-Based Photovoltaic Materials for Organic Solar Cells: Exciton Properties by the CNDOL Fockian Approach
The Journal of Physical Chemistry A·2025
Experimental and theoretical insights into light confinement within 2D waveguides of alkylphenyl benzothiadiazole crystals
Journal of Materials Chemistry C·2025
A hydration model of actinide complexes by exploring their multiple minima hypersurface: The case of uranyl cation
Chemical Physics Letters·2024
Alternative CNDOL Fockians for fast and accurate description of molecular exciton properties
The Journal of Chemical Physics·2024· 2 cited
A Hydration Model of Actinide Complexes by Exploring Their Multiple Minima Hypersurface: The Case of Uranyl Cation
SSRN Electronic Journal·2024Open Access
Study of the precipitation trend of asphaltenes and waxes in crude oil using computational chemistry and statistical thermodynamics methods
Results in Engineering·2023· 9 citedOpen Access
Electronic Descriptors for Supervised Spectroscopic Predictions
Journal of Chemical Theory and Computation·2023· 5 citedOpen Access
1,3 Dipolar Cycloaddition of Münchnones: Factors behind the Regioselectivity
The Journal of Physical Chemistry A·2023· 2 cited
The CNDOL Fockian with the configuration interaction of single excited wave functions to model the exciton properties of large molecular systems for photovoltaic devices
Molecular Physics·2022· 3 cited
A basic electro-topological descriptor for the prediction of organic molecule geometries by simple machine learning
arXiv (Cornell University)·2022Open Access
MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics
Bioinformatics·2022· 15 citedOpen Access
1,3 dipolar cycloaddition of münchnones: Factors behind the regio-selectivity
2022Open Access
Electronic Descriptors for Supervised Spectroscopic Predictions
arXiv (Cornell University)·2022Open Access
Identification of selective inhibitors against BACE 1 over BACE 2 in Alzheimer’s disease by Quantitative Structure-Activity Relationship (QSAR)
HAL (Le Centre pour la Communication Scientifique Directe)·2022
RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics
Bioinformatics·2022· 7 citedOpen Access
Prediction of molecular interactions and physicochemical properties relevant for vasopressin V2 receptor antagonism
Journal of Molecular Modeling·2022· 3 citedOpen Access
Nanoagregados de plaguicidas organoclorados en ciclodextrinas naturales como alternativa para el tratamiento de aguas contaminadas
SHILAP Revista de lepidopterología·2022Open Access
BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics
Bioinformatics·2021· 10 citedOpen Access
Prediction of Molecular Interactions And Physicochemical Properties Relevant For Vasopressin V2 Receptor Antagonism
2021Open Access
MCSS-Based Predictions of Binding Mode and Selectivity of Nucleotide Ligands
Journal of Chemical Theory and Computation·2021· 7 citedOpen Access
page 1 of 8Next →

Frequent Co-authors

Rachel Crespo‐Otero(11), José M. Garcı́a de la Vega(10), Elsa Sánchez‐García(7), Yovani Marrero‐Ponce(6), Wolfram Sander(6), Yoanna María Álvarez-Ginarte(5), Edelsys Codorniu‐Hernández(4), José Alberto Ruiz‐García(4), J. Raúl Alvarez‐Idaboy(3), Roy González‐Alemán(3), David Hernández‐Castillo(3), Julio Caballero(3), Wolf‐Dieter Stohrer(3), G. Rodrı́guez-Fuentes(3), Erix W. Hernández‐Rodríguez(3), Ana L. Montero‐Alejo(3), Pedro Noheda(3), Marco Martínez González(3), María E. Fuentes(2), Ana Montero(2)