国家/地区 Brazil（17） Ireland（2） Spain（2）
关键词 DENSITY FUNCTIONAL .（6） GRAPHENE（6） CARBON NANOMATERIAL（3）
ADSORPTION（2） COMPUTATIONAL SIMUL.（2） MAGNETIC MOMENT（2）
出版物 PHYSICAL REVIEW B（4） JOURNAL OF MOLECULA.（3） PHYSICAL CHEMISTRY .（3）
CURRENT TOPICS IN M.（2） JOURNAL OF MOLECULA.（2）
出版时间 2023（4） 2008（3） 2017（3） 2019（3） 2021（3）
机构 CTR UNIV FRA.（3） UNIV FED RIO.（2） UNIV FRANCIS.（2）
作者 FAGAN SB（21）

Computational Modeling of Environmental Co-exposure on Oil-Derived Hydrocarbon Overload by Using Substrate-Specific Transport Protein (TodX) with Graphene Nanostructures

CURRENT TOPICS IN MEDICINAL CHEMISTRY

DE OLIVEIRA PV, GOULART L, DOS SANTOS CL, ROSSATO J, FAGAN SB, ZANELLA I, CORDEIRO MNDS, RUSO JM, GONZALEZDURRUTHY M

Density functional theory study of pi-aromatic interaction of benzene, phenol, catechol, dopamine isolated dimers and adsorbed on graphene surface

JOURNAL OF MOLECULAR MODELING

DE MORAES EE, TONEL MZ, FAGAN SB, BARBOSA MC

Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles - Docking investigation

JOURNAL OF MOLECULAR GRAPHICS MODELLING

TONEL MZ, GONZALEZDURRUTHY M, ZANELLA I, FAGAN SB

History and National Initiatives of Carbon Nanotube and Graphene Research in Brazil

BRAZILIAN JOURNAL OF PHYSICS

PIMENTA MA, GERACITANO LA, FAGAN SB

Magnetization profile for impurities in graphene nanoribbons

PHYSICAL REVIEW B

POWER SR, DE MENEZES VM, FAGAN SB, FERREIRA MS

Model of impurity segregation in graphene nanoribbons

PHYSICAL REVIEW B

POWER SR, DE MENEZES VM, FAGAN SB, FERREIRA MS

Switching on magnetism in Ni-doped graphene: Density functional calculations

PHYSICAL REVIEW B

SANTOS EJG, AYUELA A, FAGAN SB, MENDES J, AZEVEDO DL, SOUZA AG, SANCHEZPORTAL D

Electronic and magnetic properties of Ti and Fe on graphene

JOURNAL OF PHYSICAL CHEMISTRY C

ZANELLA I, FAGAN SB, MOTA R, FAZZIO A

Chemical doping-induced gap opening and spin polarization in graphene

PHYSICAL REVIEW B

ZANELLA I, GUERINI S, FAGAN SB, MENDES J, SOUZA AG

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

TONEL MZ, LARA IV, ZANELLA I, FAGAN SB