| Structural, electronic, and mechanical properties of single-walled halloysite nanotube models L Guimaraes, AN Enyashin, G Seifert, HA Duarte The Journal of Physical Chemistry C 114 (26), 11358-11363, 2010 | 320 | 2010 |
| Imogolite nanotubes: stability, electronic, and mechanical properties L Guimarães, AN Enyashin, J Frenzel, T Heine, HA Duarte, G Seifert Acs Nano 1 (4), 362-368, 2007 | 227 | 2007 |
| Density-functional theory study of iron (III) hydrolysis in aqueous solution HA De Abreu, L Guimarães, HA Duarte The Journal of Physical Chemistry A 110 (24), 7713-7718, 2006 | 68 | 2006 |
| Revisiting the mechanism of neutral hydrolysis of esters: water autoionization mechanisms with acid or base initiation pathways PL da Silva, L Guimaraes, JR Pliego Jr The Journal of Physical Chemistry B 117 (21), 6487-6497, 2013 | 61 | 2013 |
| Structural, electronic, and mechanical properties of single-walled chrysotile nanotube models MP Lourenco, C de Oliveira, AF Oliveira, L Guimaraes, HA Duarte The Journal of Physical Chemistry C 116 (17), 9405-9411, 2012 | 55 | 2012 |
| Fe (II) hydrolysis in aqueous solution: A DFT study L Guimaraes, HA de Abreu, HA Duarte Chemical Physics 333 (1), 10-17, 2007 | 54 | 2007 |
| Nanotubes with well-defined structure: single-and double-walled imogolites MP Lourenco, L Guimaraes, MC Da Silva, C De Oliveira, T Heine, ... The Journal of Physical Chemistry C 118 (11), 5945-5953, 2014 | 53 | 2014 |
| Molecular modeling study of the recognition mechanism and enantioseparation of 4-hydroxypropranolol by capillary electrophoresis using carboxymethyl-β-cyclodextrin as the … CS Nascimento, JF Lopes, L Guimarães, KB Borges Analyst 139 (16), 3901-3910, 2014 | 43 | 2014 |
| Structural and thermodynamic analysis of the first mononuclear aqueous aluminum citrate complex using DFT calculations ALO de Noronha, L Guimaraes, HA Duarte Journal of Chemical Theory and Computation 3 (3), 930-937, 2007 | 37 | 2007 |
| Imogolite-like nanotubes: structure, stability, electronic and mechanical properties of the phosphorous and arsenic derivatives L Guimaraes, YN Pinto, MP Lourenço, HA Duarte Physical Chemistry Chemical Physics 15 (12), 4303-4309, 2013 | 34 | 2013 |
| Clay mineral nanotubes: stability, structure and properties HA Duarte, MP Lourenço, T Heine, L Guimarães Stoichiometry and materials science—When numbers matter, 3-24, 2012 | 33 | 2012 |
| A DFT investigation on the host/guest inclusion process of prilocaine into β-cyclodextrin SMR de Sousa, L Guimarães, JL Ferrari, WB De Almeida, ... Chemical Physics Letters 652, 123-129, 2016 | 29 | 2016 |
| Sr2CeO4: electronic and structural properties LA Rocha, MA Schiavon, CS Nascimento Jr, L Guimarães, MS Góes, ... Journal of alloys and compounds 608, 73-78, 2014 | 27 | 2014 |
| Combined experimental powder X-ray diffraction and DFT data to obtain the lowest energy molecular conformation of friedelin DM Oliveira, WN Mussel, LP Duarte, GDF Silva, HA Duarte, ECL Gomes, ... Química Nova 35, 1916-1921, 2012 | 24 | 2012 |
| Spherical-shaped Y2O3: Eu3+ nanoparticles with intense photoluminescence emission C de Mayrinck, MA Schiavon, CS Nascimento Jr, L Guimarães, ... Ceramics International 41 (1), 1189-1195, 2015 | 22 | 2015 |
| Acid-catalyzed transesterification and esterification in methanol: a theoretical cluster-continuum investigation of the mechanisms and free energy barriers PL Silva, CM Silva, L Guimarães, JR Pliego Theoretical Chemistry Accounts 134, 1-13, 2015 | 18 | 2015 |
| Synthesis and evaluation of the mutagenicity of 3-alkylpyridine marine alkaloid analogues with anticancer potential MCS Barbosa, C de Souza Barbosa, JT de Oliveira, NCS Moreira, ... Mutation Research/Genetic Toxicology and Environmental Mutagenesis 825, 31-39, 2018 | 17 | 2018 |
| Revealing the binding process of new 3-Alkylpyridine marine alkaloid analogue antimalarials and the heme group: an experimental and theoretical investigation RM Ribeiro-Viana, AP Butera, ES Santos, CA Tischer, RB Alves, ... Journal of Chemical Information and Modeling 56 (3), 571-579, 2016 | 17 | 2016 |
| Computational investigation on the host–guest inclusion process of norfloxacin into β-cyclodextrin PP Maia, SMR de Sousa, WB De Almeida, L Guimarães, CS Nascimento Journal of molecular modeling 22, 1-7, 2016 | 14 | 2016 |
| Hemoglobina extracelular gigante de Glossoscolex paulistus: um extraordinário sistema supramolecular hemoproteico LM Moreira, PCG Moraes, JPRF Mendonça, L Guimarães, JP Lyon, ... Química Nova 34, 119-130, 2011 | 14 | 2011 |
