A theoretical study of glucose mutarotation in aqueous solution AM Silva, EC da Silva, CO da Silva Carbohydrate research 341 (8), 1029-1040, 2006 | 103 | 2006 |
Chemical analysis and molecular models for calcium–oxygen–carbon interactions in black carbon found in fertile Amazonian anthrosoils BS Archanjo, JR Araujo, AM Silva, RB Capaz, NPS Falcão, A Jorio, ... Environmental science & technology 48 (13), 7445-7452, 2014 | 79 | 2014 |
Electric and structural properties of polymeric graphite carbon nitride (g-C3N4): A Density Functional Theory study AM Silva, MI Rojas Computational and Theoretical Chemistry 1098, 41-49, 2016 | 43 | 2016 |
Effect of the zeolite cavity on the mechanism of dehydrogenation of light alkanes over gallium-containing zeolites MS Pereira, AM da Silva, MAC Nascimento The Journal of Physical Chemistry C 115 (20), 10104-10113, 2011 | 39 | 2011 |
Density functional theory molecular simulation of thiophene adsorption on MoS2 including microwave effects I Borges Jr, AM Silva, AP Aguiar, LEP Borges, JCA Santos, MHC Dias Journal of Molecular Structure: THEOCHEM 822 (1-3), 80-88, 2007 | 35 | 2007 |
The role of intermolecular interactions in polyaniline/polyamide-6, 6 pressure-sensitive blends studied by DFT and 1H NMR ES Lopes, E Domingos, RS Neves, W Romão, KR de Souza, R Valaski, ... European Polymer Journal 85, 588-604, 2016 | 26 | 2016 |
The origin of high electrocatalytic activity of hydrogen peroxide reduction reaction by a gC 3 N 4/HOPG sensor CG Gomez, AM Silva, MC Strumia, LB Avalle, MI Rojas Nanoscale 9 (31), 11170-11179, 2017 | 22 | 2017 |
Phosphorous bonding in single wall carbon nanotubes studied by X-ray photoelectron spectroscopy and DFT calculations JR Araujo, AM Silva, CP Gouvêa, ES Lopes, RAA Santos, LA Terrazos, ... Carbon 99, 1-7, 2016 | 19 | 2016 |
Probing topological electronic effects in catalysis: thiophene adsorption on NiMoS and CoMoS clusters I Borges Jr, AM Silva Journal of the Brazilian Chemical Society 23, 1789-1799, 2012 | 19 | 2012 |
A density functional study on the nature of the adsorption complex between isobutane and H-ZSM5 and its implication for the mechanism of activation of alkane molecules over H … I Milas, AM Silva, MAC Nascimento Applied Catalysis A: General 336 (1-2), 17-22, 2008 | 19 | 2008 |
How to find an optimum cluster size through topological site properties: MoSxmodel clusters AM Silva, I Borges Jr Journal of Computational Chemistry 32 (10), 2186-2194, 2011 | 17 | 2011 |
A DFT study of nitration of benzene by acyl nitrate catalyzed by zeolites AM Silva, MAC Nascimento Chemical physics letters 393 (1-3), 173-178, 2004 | 15 | 2004 |
A theoretical study of the pyrolysis of isopropyl acetate AM Silva Chemical physics letters 439 (1-3), 8-13, 2007 | 12 | 2007 |
Towards an enhanced nanocarbon crystallization from lignin D Rocha, J Luzardo, D Aguiar, S Massafra, R Valaski, A Silva, E Ferreira, ... Carbon 203, 120-129, 2023 | 11 | 2023 |
Microwave effects on NiMoS and CoMoS single-sheet catalysts I Borges, AM Silva, L Modesto-Costa Journal of Molecular Modeling 24, 1-8, 2018 | 11 | 2018 |
First-principles study of oxygen-induced copper segregation in Cu3Au (1 1 1) AM Silva, CA Achete, RB Capaz Chemical Physics 410, 99-102, 2013 | 11 | 2013 |
Theoretical characterization of tolanene: A new 2D sp-sp2 hybridized carbon allotrope S Ullah, MG Menezes, AM Silva Carbon 217, 118618, 2024 | 7 | 2024 |
Ab initio studies of pristine and oxidized Cu3Au(100) and (111) surfaces AA Leitao, MD Moreira, LG Dias, AM Silva, RB Capaz, CA Achete Journal of Materials Science 47, 7594-7600, 2012 | 7 | 2012 |
Graphene as interface modifier in ITO and ITO-Cr electrodes LA Silva, JMM Luzardo, SM Oliveira, RV Curti, AM Silva, R Valaski, ... Current Applied Physics 20 (7), 846-852, 2020 | 6 | 2020 |
Theoretical study on the nitration of methane by acyl nitrate catalyzed by H-ZSM5 zeolite AM Silva, MAC Nascimento The Journal of Physical Chemistry A 112 (38), 8916-8919, 2008 | 5 | 2008 |