国家/地区 Mexico（2）
关键词 DFT（5）
出版物 MOLECULAR SIMULATION（5）
出版时间
机构 UNIV NACL AU.（2）
作者 FOMINE S（2）

Ab initiostudy of N-doped graphene oxide (NDGO) as a promising anode material for Li-ion rechargeable battery

MOLECULAR SIMULATION

SHAMIM SUD, HOSSAIN MK, HASAN SM, HOSSAIN A, AHMED F

Complexes of graphene nanoribbons with porphyrins and metal-encapsulated C28 as molecular rectifiers: a theoretical study

MOLECULAR SIMULATION

MONTIEL F, MIRALRIO A, SANSORES LE, FOMINE S

Electronic structure of boron-doped finite graphene sheets: unrestricted DFT and complete active space calculations

MOLECULAR SIMULATION

TORRES AE, FLORES R, FOMINA L, FOMINE S

Investigation of structural properties of Mg-doped twisted bilayer graphene for phosphine gas detection

MOLECULAR SIMULATION

RAKHSHBAHAR H, MOHAMMADIMANESH E

Adsorption properties of amino acid-based ionic liquids (AAILs) on edge fluorinated graphene surface - a DFT study

MOLECULAR SIMULATION

SHYAMA M, LAKSHMIPATHI S