Adsorption of sodium diclofenac on graphene: a combined experimental and theoretical study IM Jauris, CF Matos, C Saucier, EC Lima, AJG Zarbin, SB Fagan, ... Physical Chemistry Chemical Physics 18 (3), 1526-1536, 2016 | 161 | 2016 |
Chemical doping-induced gap opening and spin polarization in graphene I Zanella, S Guerini, SB Fagan, J Mendes Filho, AG Souza Filho Physical Review B 77 (7), 073404, 2008 | 152 | 2008 |
Adsorption of alizarin red S dye by carbon nanotubes: an experimental and theoretical investigation FM Machado, SA Carmalin, EC Lima, SLP Dias, LDT Prola, C Saucier, ... The Journal of Physical Chemistry C 120 (32), 18296-18306, 2016 | 104 | 2016 |
Electronic and magnetic properties of Ti and Fe on graphene I Zanella, SB Fagan, R Mota, A Fazzio The Journal of Physical Chemistry C 112 (25), 9163-9167, 2008 | 103 | 2008 |
Ab initio study of pristine and Si-doped capped carbon nanotubes interacting with nimesulide molecules I Zanella, SB Fagan, R Mota, A Fazzio Chemical physics letters 439 (4-6), 348-353, 2007 | 57 | 2007 |
A first-principles study of the interaction of doxorubicin with graphene MZ Tonel, MO Martins, I Zanella, RB Pontes, SB Fagan Computational and Theoretical Chemistry 1115, 270-275, 2017 | 32* | 2017 |
Carbon nanotubes interacting with vitamins: first principles calculations VM de Menezes, SB Fagan, I Zanella, R Mota Microelectronics journal 40 (4-5), 877-879, 2009 | 31 | 2009 |
Nicotine adsorption on single wall carbon nanotubes EC Girão, SB Fagan, I Zanella, AG Souza Filho Journal of Hazardous Materials 184 (1-3), 678-683, 2010 | 30 | 2010 |
Adsorption of anti-inflammatory nimesulide by graphene materials: a combined theoretical and experimental study IM Jauris, CF Matos, AJG Zarbin, CS Umpierres, C Saucier, EC Lima, ... Physical Chemistry Chemical Physics 19 (33), 22099-22110, 2017 | 27 | 2017 |
Functionalization of carbon nanotube by carboxyl group under radial deformation IV Lara, I Zanella, SB Fagan Chemical Physics 428, 117-120, 2014 | 27 | 2014 |
JM Filho, and AGS Filho I Zanella, S Guerini, SB Fagan Phys. Rev. B 77 (073), 404, 2008 | 27 | 2008 |
Adsorption of 17 β-estradiol in graphene oxide through the competing methanol co-solvent: Experimental and computational analysis PV de Oliveira, I Zanella, LOS Bulhoes, SB Fagan Journal of Molecular Liquids 321, 114738, 2021 | 18 | 2021 |
Electronic transport properties of ascorbic acid and nicotinamide adsorbed on single-walled carbon nanotubes VM de Menezes, AR Rocha, I Zanella, R Mota, A Fazzio, SB Fagan Chemical Physics Letters 506 (4-6), 233-238, 2011 | 16 | 2011 |
Influence of concentration and position of carboxyl groups on the electronic properties of single-walled carbon nanotubes IV Lara, I Zanella, AG de Souza Filho, SB Fagan Physical Chemistry Chemical Physics 16 (39), 21602-21608, 2014 | 15 | 2014 |
Abordagens em nanociência e nanotecnologia para o ensino médio I Zanella, SB Fagan, V Bisognin, E Bisognin SIMPÓSIO NACIONAL DE ENSINO DE FÍSICA 18, 1-9, 2009 | 15 | 2009 |
The influence of the concentration and adsorption sites of different chemical groups on graphene through first principles simulations MZ Tonel, IV Lara, I Zanella, SB Fagan Physical Chemistry Chemical Physics 19 (40), 27374-27383, 2017 | 14 | 2017 |
Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles-Docking investigation MZ Tonel, M González-Durruthy, I Zanella, SB Fagan Journal of Molecular Graphics and Modelling 88, 121-127, 2019 | 12 | 2019 |
Carbon nanostructures interacting with vitamins A, B3 and C: ab initio simulations VM de Menezes, E Michelon, J Rossato, I Zanella, SB Fagan Journal of Biomedical Nanotechnology 8 (2), 345-349, 2012 | 12 | 2012 |
Chlorophyll a and pheophytin a as gas sensors of CO2 and O2 molecules RCA Bevilaqua, I Zanella, SB Fagan Chemical Physics Letters 496 (4-6), 310-315, 2010 | 12 | 2010 |
Pristine and functionalized capped carbon nanotubes under electric fields V Machado de Menezes, R Mota, I Zanella, SB Fagan physica status solidi (b) 251 (3), 649-654, 2014 | 11 | 2014 |