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Luciana Guimaraes
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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
3172010
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
2242007
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
682006
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
572013
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
552012
Fe (II) hydrolysis in aqueous solution: A DFT study
L Guimaraes, HA de Abreu, HA Duarte
Chemical Physics 333 (1), 10-17, 2007
522007
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
512014
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
432014
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
372007
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
332013
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
322012
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
292016
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
272014
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
242012
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
222015
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
172018
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
172016
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
172015
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
142016
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
142011
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Articles 1–20