RESEARCHER PROFILE
Luís A. Montero
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L
University of Havana
Luís A. Montero works in Advanced Chemical Physics Studies, Computational Drug Discovery Methods, Crystallography and molecular interactions, Advanced Physical and Chemical Molecular Interactions, Photochemistry and Electron Transfer Studies. Recorded institutional associations include University of Havana, Donostia International Physics Center.
148Publications
1,644Citations
22H-index
Inclusion identifies researchers whose recorded research contributions may inform their university’s understanding of its research community. It does not rank individual research quality or establish current employment.
Selected research works
Up to 100 highly cited works; DOI links open the original research. Counts reflect the collected record, not real-time citation totals.
A Theoretical Approach to Analytical Properties of 2,4-Diamino-5-phenylthiazole in Water Solution. Tautomerism and Dependence on pH
1998 · 76 citationsOH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach
2001 · 60 citationsMultiple minima hypersurfaces of water clusters for calculations of association energy
2000 · 59 citationsTotal and Local Quadratic Indices of the “Molecular Pseudograph’s Atom Adjacency Matrix”. Application to Prediction of Caco-2 Permeability of Drugs
2003 · 56 citationsCalculation of the Reaction of Ethylene, Propene, and Acetylene on Zeolite Models
1996 · 54 citationsQuality Threshold Clustering of Molecular Dynamics: A Word of Caution
2019 · 54 citationsBasis set superposition error in MP2 and density-functional theory: A case of methane-nitric oxide association
2005 · 36 citationsTheoretical study of flavonoids and proline interactions. Aqueous and gas phases
2003 · 35 citationsQuantum mechanical model for Maya Blue
2008 · 35 citationsTheoeretical study of the physical adsorption of aspirin on natural clinoptilolite
1998 · 31 citationsSingle configuration interaction study on conjugated betainic chromophores based on DFT optimized geometries
1999 · 31 citationsEffects of the 3- and 4-Methoxy and Acetamide Substituents and Solvent Environment on the Electronic Properties of N-Substituted 1,8-Naphthalimide Derivatives
2007 · 30 citationsClinoptilolite–heulandite polymorphism: structural features from computer simulation
2000 · 30 citationsAb initio and matrix isolation study of the acetylene–furan dimer
2007 · 29 citationsInteractions between simple radicals and water
2008 · 27 citations1:2 Formic Acid/Acetylene Complexes: Ab Initio and Matrix Isolation Studies of Weakly Interacting Systems
2004 · 27 citationsEssential amino acids interacting with flavonoids: A theoretical approach
2005 · 27 citationsFuran−Formic Acid Dimers: An ab Initio and Matrix Isolation Study
2006 · 26 citationsBitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations
2019 · 26 citationsFrom PPP ‐ MO theory to all‐valence electron calculations of ionic and excited states in organic molecules
1990 · 25 citationsTheoretical Model of Furan and 2-Furancarboxaldehyde. The Molecular Structure and Vibrational Spectra, Including Isotopic Effects
1994 · 24 citationsComputational Study of Noncovalent Complexes between Formamide and Formic Acid
2006 · 22 citationsAb initio modelling of crosslinking in polymers. A case of chains with furan rings
2006 · 22 citationsA novel in-silico approach for QSAR Studies of Anabolic and Androgenic Activities in the 17β-hydroxy-5α-androstane Steroid Family
2005 · 22 citationsQuantum relativistic investigation about the coordination and bonding effects of different ligands on uranyl complexes
2009 · 21 citations