国家/地区 China（3） India（2） Iran（2）
关键词 ADSORPTION（9）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（9）
出版时间 2017（2） 2020（2） 2021（2）
机构
作者

A DFT-D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe-4-decorated graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

JOGENDER, BADHANI B, MANDEEP, KAKKAR R

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

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

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

Molecular dynamics simulation of the adsorption properties of graphene oxide/graphene composite for alkali metal ions

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ZENG JP, ZHANG Y, CHEN YH, HAN ZJ, CHEN XM, PENG Y, CHEN L, CHEN S

Grand canonical Monte Carlo simulations of methane adsorption in fullerene pillared graphene nanocomposites

JOURNAL OF MOLECULAR GRAPHICS MODELLING

BAYKASOGLU C, MERT H, DENIZ CU

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

Investigation of unified impact of Ti adatom and N doping on hydrogen gas adsorption capabilities of defected graphene sheets

JOURNAL OF MOLECULAR GRAPHICS MODELLING

LUHADIYA N, CHOYAL V, KUNDALWAL SI, SAHU SK