国家/地区 Brazil（4）
关键词 CARBON NANOMATERIAL（2）
出版物
出版时间 2023（4）
机构
作者 FAGAN SB（4）

Ab initio study of water anchored in graphene pristine and vacancy-type defects

JOURNAL OF MOLECULAR MODELING

TONEL MZ, ABAL JPK, FAGAN SB, BARBOSA MC

Highly furosemide uptake employing magnetic graphene oxide: DFT modeling combined to experimental approach

JOURNAL OF MOLECULAR LIQUIDS

VARGAS GO, SCHNORR C, NUNES FB, SALLES TD, TONEL MZ, FAGAN SB, DA SILVA IZ, SILVA LFO, MORTARI SR, DOTTO GL, RHODEN CRB

Combining multi-scale simulations and experiments to unveil the adsorption of methylene blue in graphene tridimensional-based materials

MOLECULAR SYSTEMS DESIGN ENGINEERING

LEAO MB, VENDRAME LFO, FAGAN SB, ZANELLA I, JAURIS IM, BORDIN JR, DE MATOS CF

Graphene oxide and flavonoids as potential inhibitors of the spike protein of SARS-CoV-2 variants and interaction between ligands: a parallel study of molecular docking and DFT

STRUCTURAL CHEMISTRY

SCHULTZ JV, TONEL MZ, MARTINS MO, FAGAN SB