国家/地区 Iran（3）
关键词 DFT（3）
出版物 JOURNAL OF MOLECULAR LIQUIDS（3）
出版时间
机构
作者

Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study

JOURNAL OF MOLECULAR LIQUIDS

SHAKOURIANFARD M, GHENAATIAN HR, KAMATH G, TAIMOORY SM

Theoretical investigation of phenol adsorption on functionalized graphene using DFT calculations for effective removal of organic contaminants from wastewater

JOURNAL OF MOLECULAR LIQUIDS

GHAHGHAEY Z, HEKMATI M, GANJI MD

Theoretical investigations of functionalization of graphene and ZnO monolayers with mercaptopurine at aqueous media: A dispersion-corrected DFT calculations and molecular dynamic simulations

JOURNAL OF MOLECULAR LIQUIDS

AGHAHOSSEINI A, EDJLALI L, JAMEHBOZORGI S, REZVANI M, GHASEMI E