国家/地区 Iran（17）
关键词 MOLECULAR DYNAMICS .（7） GRAPHENE（4） GRAPHENE NANORIBBON（3）
BUCKLING（2） MOLECULAR DYNAMIC（2） MOLECULAR DYNAMICS .（2）
THERMAL CONDUCTIVIT.（2）
出版物 MOLECULAR SIMULATION（17）
出版时间 2016（4） 2017（3） 2022（3） 2019（2）
机构 AMIRKABIR UN.（2） UNIV KURDIST.（2）
作者 EBRAHIMI S（3） HASHEMABADI .（2） HYDARINASAB .（2） MEHRANPOUR M（2）
ZOJAJI M（2）

Predicting the efficiency of polyethylene glycol-functionalised graphene in delivery of temozolomide anticancer drug and investigating the effect of pH on the drug release process: DFT and free energy calculations

MOLECULAR SIMULATION

SABERINASAB A, RAISSI H, HASHEMZADEH H

Molecular dynamics simulations of the effect of temperature and strain rate on mechanical properties of graphene-epoxy nanocomposites

MOLECULAR SIMULATION

MOEINI M, ISFAHANI RB, SABERSAMANDARI S, AGHDAM MM

Molecular dynamics simulation of lactate dehydrogenase adsorption onto pristine and carboxylic-functionalized graphene

MOLECULAR SIMULATION

AHMADI S, MARDOUKHI MSY, SALEHI M, SAJJADI S, KEIHAN AH

Non-equilibrium molecular dynamics study on radial thermal conductivity and thermal rectification of graphene

MOLECULAR SIMULATION

YOUSEFI F, SHAVIKLOO M, MOHAMMADI M

The effect of high concentrations and orientations of Stone-Wales defects on the thermal conductivity of graphene nanoribbons

MOLECULAR SIMULATION

EBRAHIMI S, AZIZI M

A molecular dynamics simulation on the effect of different parameters on thermal resistance of graphene-argon interface

MOLECULAR SIMULATION

AMANI A, KARIMIAN SMH, SEYEDNIA M

Modelling the effects of hydrogen passivation and strain on the field emission from armchair-graphene nanoribbon using a modified non-equilibrium Green's function method

MOLECULAR SIMULATION

BEHROOZ M, MONSHIPOURI M, ABDI Y

Adsorption and immobilisation of human insulin on graphene monoxide, silicon carbide and boron nitride nanosheets investigated by molecular dynamics simulation

MOLECULAR SIMULATION

ATABAY M, SARDROODI JJ, EBRAHIMZADEH AR

Theoretical study of chemisorption of cyanuric fluoride and S-triazine on the surface of Al-doped graphene

MOLECULAR SIMULATION

RAD AS, AGHOUZI SA, MOTAGHEDI N, MALEKI S, PEYRAVI M

A molecular dynamics simulation study of the effect of water-graphene interaction on the properties of confined water

MOLECULAR SIMULATION

MOZAFFARI F