国家/地区 China（2） Iran（2）
关键词 DFT（2） GRAPHENE OXIDE（2） MD SIMULATION（2）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（5）
出版时间 2018（5）
机构
作者

Simulations on methane uptake in tunable pillared porous graphene hybrid architectures

JOURNAL OF MOLECULAR GRAPHICS MODELLING

JIANG H, CHENG XL

The reaction pathways of the oxygen reduction reaction on IrN4 doped divacancy graphene: A theoretical study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

LIU SZ, CHENG L, LI K, WANG Y, YANG YW, WU ZJ

The selective adsorption of formaldehyde and methanol over Al- or Si-decorated graphene oxide: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD, DINPARAST L

Dispersion corrected density functional study of CO oxidation on pristine/functionalized/doped graphene surfaces in aqueous phase

JOURNAL OF MOLECULAR GRAPHICS MODELLING

RIYAZ M, YADAV S, GOEL N

Molecular dynamics simulation of vibrational behavior of annular graphene sheet: Identification of nonlocal parameter

JOURNAL OF MOLECULAR GRAPHICS MODELLING

MADANI SH, SABOUR MH, FADAEE M