国家/地区 Iran（2）
关键词 DFT（4）
出版物 CHEMICAL PHYSICS LETTERS（4）
出版时间 2018（4）
机构 UNIV MARAGHE.（2）
作者 ESRAFILI MD（2）

Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption

CHEMICAL PHYSICS LETTERS

TOUZEAU J, BARBAULT F, MAUREL F, SEYDOU M

N2O + CO reaction over a single Si or P atom incorporated nitrogen-doped graphene: A comparative DFT study

CHEMICAL PHYSICS LETTERS

ESRAFILI MD

BN co-doped graphene monolayers as promising metal-free catalysts for N2O reduction: A DFT study

CHEMICAL PHYSICS LETTERS

ESRAFILI MD

A comparative study of the structures and electronic properties of graphene fragments: A DFT and MP2 survey

CHEMICAL PHYSICS LETTERS

DE CARVALHO EFV, LOPEZCASTILLO A, ROBERTONETO O