国家/地区 Iran（2） Pakistan（2）
关键词 DFT（4）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（4）
出版时间 2021（4）
机构
作者 ESRAFILI MD（2）

Catalytic CO oxidation reaction over N-substituted graphene nanoribbon with edge defects

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, MOUSAVIAN P

A mechanistic first-principles study on N-2 reduction reaction catalyzed by Ni-4 supported defective graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SAEIDI N, ESRAFILI MD, SARDROODI JJ

A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gap

JOURNAL OF MOLECULAR GRAPHICS MODELLING

HUSSAIN A, BASIT A

Surface functionalization of twisted graphene C32H15 and C104H52 derivatives with alkalis and superalkalis for NLO response; a DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

KOSAR N, AYUB K, MAHMOOD T