国家/地区 Brazil（17）
关键词 DENSITY FUNCTIONAL .（5） GRAPHENE（4） CARBON NANOMATERIAL（3）
ADSORPTION（2） COMPUTATIONAL SIMUL.（2）
出版物 JOURNAL OF MOLECULA.（3） PHYSICAL CHEMISTRY .（3） JOURNAL OF MOLECULA.（2）
出版时间 2023（4） 2017（3） 2019（3） 2021（3） 2008（2）
机构 CTR UNIV FRA.（3） UNIV FED RIO.（2）
作者 FAGAN SB（17）

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

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

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

JAURIS IM, MATOS CF, ZARBIN AJG, UMPIERRES CS, SAUCIER C, LIMA EC, FAGAN SB, ZANELLA I, MACHADO FM

A first-principles study of the interaction of doxorubicin with graphene

COMPUTATIONAL THEORETICAL CHEMISTRY

TONEL MZ, MARTINS MO, ZANELLA I, PONTES RB, FAGAN SB

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

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

JAURIS IM, MATOS CF, SAUCIER C, LIMA EC, ZARBIN AJG, FAGAN SB, MACHADO FM, ZANELLA I

Methylphenidate adsorption onto graphene derivatives: theory and experiment

NEW JOURNAL OF CHEMISTRY

BRUCKMANN FD, ZUCHETTO T, LEDUR CM, DOS SANTOS CL, DA SILVA WL, FAGAN SB, DA SILVA IZ, RHODEN CRB