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Lucas de Azevedo Santos
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Year
Substituted corannulenes and sumanenes as fullerene receptors. A dispersion-corrected density functional theory study
D Josa, J Rodríguez-Otero, EM Cabaleiro-Lago, LA Santos, TC Ramalho
The Journal of Physical Chemistry A 118 (40), 9521-9528, 2014
532014
Reductive amination of levulinic acid to different pyrrolidones on Ir/SiO2-SO3H: Elucidation of reaction mechanism
JJ Martínez, L Silva, HA Rojas, GP Romanelli, LA Santos, TC Ramalho, ...
Catalysis Today 296, 118-126, 2017
412017
The pnictogen bond: a quantitative molecular orbital picture
L de Azevedo Santos, TA Hamlin, TC Ramalho, FM Bickelhaupt
Physical Chemistry Chemical Physics 23 (25), 13842-13852, 2021
382021
A Quantitative Molecular Orbital Perspective of the Chalcogen Bond
L de Azevedo Santos, SCC van Der Lubbe, TA Hamlin, TC Ramalho, ...
ChemistryOpen 10 (4), 391-401, 2021
342021
Ring-annelated corannulenes as fullerene receptors. A DFT-D study
D Josa, LA dos Santos, I Gonzalez-Veloso, J Rodriguez-Otero, ...
RSC Advances 4 (56), 29826-29833, 2014
342014
Front Cover: Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides (Chem. Asian J. 23/2020)
D Rodrigues Silva, L de Azevedo Santos, MP Freitas, CF Guerra, ...
Chemistry–An Asian Journal 15 (23), 3913-3913, 2020
33*2020
Halogen Bonds in Ligand–Protein Systems: Molecular Orbital Theory for Drug Design
E Margiotta, SCC van der Lubbe, L de Azevedo Santos, G Paragi, S Moro, ...
Journal of chemical information and modeling 60 (3), 1317-1328, 2020
282020
Toward the classical description of halogen bonds: a quantum based generalized empirical potential for fluorine, chlorine, and bromine
LA Santos, EFF da Cunha, TC Ramalho
The Journal of Physical Chemistry A 121 (12), 2442-2451, 2017
232017
Molecularly imprinted polymers for selective adsorption of quinoline: theoretical and experimental studies
LNM Saavedra, RG Penido, L de Azevedo Santos, TC Ramalho, ...
RSC advances 8 (50), 28775-28786, 2018
212018
Chalcogen bonds: Hierarchical ab initio benchmark and density functional theory performance study
L de Azevedo Santos, TC Ramalho, TA Hamlin, FM Bickelhaupt
Journal of computational chemistry, 0
20
Intermolecular Covalent Interactions: Nature and Directionality
L de Azevedo Santos, T C. Ramalho, TA Hamlin, FM Bickelhaupt
Chemistry–A European Journal, 2022
182022
The Gauche Effect in XCH2CH2X Revisited
D Rodrigues Silva, L de Azevedo Santos, TA Hamlin, C Fonseca Guerra, ...
ChemPhysChem 22 (7), 641-648, 2021
182021
Hydrophobic noncovalent interactions of inosine-phenylalanine: a theoretical model for investigating the molecular recognition of nucleobases
LA Santos, EFF da Cunha, MP Freitas, TC Ramalho
The Journal of Physical Chemistry A 118 (31), 5808-5817, 2014
152014
Could quantum mechanical properties be reflected on classical molecular dynamics? The case of halogenated organic compounds of biological interest
LA Santos, IG Prandi, TC Ramalho
Frontiers in Chemistry 7, 848, 2019
142019
The Role of Intramolecular Interactions on the Bioactive Conformation of Epinephrine
DR Silva, JM Silla, LA Santos, EFF da Cunha, MP Freitas
Molecular informatics 38 (6), 1800167, 2019
72019
Experimental and theoretical studies of solvent polarity influence on the preparation of molecularly imprinted polymers for the removal of estradiol from water
LP dos Santos Xavier, AC Dias, BEL Baeta, L de Azevedo Santos, ...
New Journal of Chemistry 43 (4), 1775-1784, 2019
72019
Thermodynamic framework of hydrophobic/electrostatic interactions
TC Ramalho, LA Santos, EFF da Cunha
Journal of Biomolecular Structure and Dynamics 31 (9), 995-1000, 2013
72013
σ‐Electrons Responsible for Cooperativity and Ring Equalization in Hydrogen‐Bonded Supramolecular Polymers
L de Azevedo Santos, D Cesario, P Vermeeren, SCC van der Lubbe, ...
ChemPlusChem 87 (2), e202100541, 2022
62022
Synthesis and special characterization through X-ray analysis of 1, 8-dioxooctahydroxanthenes
ML da Silva, RR Teixeira, L de Azevedo Santos, FT Martins, TC Ramalho
Arabian Journal of Chemistry 13 (1), 974-987, 2020
62020
Insights into the pharmaceuticals and mechanisms of neurological orphan diseases: current status and future expectations
TC Ramalho, AA de Castro, TS Tavares, MC Silva, DR Silva, PH Cesar, ...
Progress in neurobiology 169, 135-157, 2018
62018
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Articles 1–20