Fagan SB - Search Results

1

Ab initio simulations of black and blue phosphorene functionalised with chemical groups for biomolecule anchoring.

Ledur CM, Zanella I, Fagan SB. Ledur CM, et al. Among authors: fagan sb. J Mol Model. 2021 Nov 8;27(12):349. doi: 10.1007/s00894-021-04961-4. J Mol Model. 2021. PMID: 34750682

2

Nicotine adsorption on single wall carbon nanotubes.

Girão EC, Fagan SB, Zanella I, Filho AGS. Girão EC, et al. Among authors: fagan sb. J Hazard Mater. 2010 Dec 15;184(1-3):678-683. doi: 10.1016/j.jhazmat.2010.08.091. Epub 2010 Aug 27. J Hazard Mater. 2010. PMID: 20869167

3

Carbon nanostructures interacting with vitamins A, B3 and C: ab initio simulations.

de Menezes VM, Michelon E, Rossato J, Zanella I, Fagan SB. de Menezes VM, et al. Among authors: fagan sb. J Biomed Nanotechnol. 2012 Apr;8(2):345-9. doi: 10.1166/jbn.2012.1434. J Biomed Nanotechnol. 2012. PMID: 22515087

4

Metal-doped carbon nanotubes interacting with vitamin C.

Cadore AR, Zanella I, de Menezes VM, Rossato J, Mota R, Fagan SB. Cadore AR, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2012 Dec 28;14(48):16737-44. doi: 10.1039/c2cp43151c. Epub 2012 Nov 9. Phys Chem Chem Phys. 2012. PMID: 23138524

5

Interactions of iron-oxide filled carbon nanotubes with gas molecules.

Bevilaqua RC, Cava CE, Zanella I, Salvatierra RV, Zarbin AJ, Roman LS, Fagan SB. Bevilaqua RC, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2013 Sep 14;15(34):14340-6. doi: 10.1039/c3cp51576a. Epub 2013 Jul 23. Phys Chem Chem Phys. 2013. PMID: 23877165

6

Influence of concentration and position of carboxyl groups on the electronic properties of single-walled carbon nanotubes.

Lara IV, Zanella I, de Souza Filho AG, Fagan SB. Lara IV, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2014 Oct 21;16(39):21602-8. doi: 10.1039/c4cp02225d. Epub 2014 Sep 5. Phys Chem Chem Phys. 2014. PMID: 25189125

7

Adsorption of sodium diclofenac on graphene: a combined experimental and theoretical study.

Jauris IM, Matos CF, Saucier C, Lima EC, Zarbin AJ, Fagan SB, Machado FM, Zanella I. Jauris IM, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2016 Jan 21;18(3):1526-36. doi: 10.1039/c5cp05940b. Epub 2015 Dec 15. Phys Chem Chem Phys. 2016. PMID: 26671178

8

Adsorption of anti-inflammatory nimesulide by graphene materials: a combined theoretical and experimental study.

Jauris IM, Matos CF, Zarbin AJG, Umpierres CS, Saucier C, Lima EC, Fagan SB, Zanella I, Machado FM. Jauris IM, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2017 Aug 23;19(33):22099-22110. doi: 10.1039/c7cp04272h. Phys Chem Chem Phys. 2017. PMID: 28795704

9

The influence of the concentration and adsorption sites of different chemical groups on graphene through first principles simulations.

Tonel MZ, Lara IV, Zanella I, Fagan SB. Tonel MZ, et al. Among authors: fagan sb. Phys Chem Chem Phys. 2017 Oct 18;19(40):27374-27383. doi: 10.1039/c7cp05549h. Phys Chem Chem Phys. 2017. PMID: 28972620

10

A simulation environment for polymeric nanoparticles based on multi-agent systems.

Zamberlan AO, Kurtz GC, Gomes TL, Bordini RH, Fagan SB. Zamberlan AO, et al. Among authors: fagan sb. J Mol Model. 2018 Dec 18;25(1):5. doi: 10.1007/s00894-018-3889-z. J Mol Model. 2018. PMID: 30560295

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