国家/地区 Iran（9） China（3） Brazil（2）
关键词 GRAPHENE（18）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（18）
出版时间 2015（3） 2017（3） 2019（3） 2020（3） 2021（2）
机构 SHAHID RAJAE.（2） UNIV TABRIZ（2）
作者 ESRAFILI MD（3） AZAMAT J（2） JOO SW（2） KHATAEE A（2）
LOTFI E（2） NEEKAMAL M（2） SARDROODI JJ（2）

Computational investigation of N2O adsorption and dissociation on the silicon-embedded graphene catalyst: A density functional theory perspective

JOURNAL OF MOLECULAR GRAPHICS MODELLING

VAKILI M, GHOLIZADEH R, GHADI A, SALMASI E, SINNOKROT M

Theoretical study of collision dynamics of fullerenes on graphenylene and porous graphene membranes

JOURNAL OF MOLECULAR GRAPHICS MODELLING

BRANDOLT R, PAUPITZ R

CuN3 doped graphene as an active electrocatalyst for oxygen reduction reaction in fuel cells: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

MOHAMMADIRAD N, ESRAFILI MD, SARDROODI JJ

Electric field assisted activation of CO2 over P-doped graphene: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESRAFILI MD

Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles - Docking investigation

JOURNAL OF MOLECULAR GRAPHICS MODELLING

TONEL MZ, GONZALEZDURRUTHY M, ZANELLA I, FAGAN SB

Interactions of B12N12 fullerenes on graphene and boron nitride nanosheets: A DFT study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ESCOBAR JC, VILLANUEVA MS, HERNANDEZ AB, CORTESARRIAGADA D, ANOTA EC

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

Functionalized graphene as a nanostructured membrane for removal of copper and mercury from aqueous solution: A molecular dynamics simulation study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

AZAMAT J, KHATAEE A, JOO SW

The possibility of using C-20 fullerene and graphene as semiconductor segments for detection, and destruction of cyanogen-chloride chemical agent

JOURNAL OF MOLECULAR GRAPHICS MODELLING

PAKRAVAN P, SIADATI SA

Studying the adsorption of DNA nanostructures on graphene in the aqueous phase using molecular dynamic simulations

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SUN JX, LI Y, LIN JP