国家/地区 China（4） Iran（4） India（3） Bangladesh（2）
关键词 GRAPHENE（8） DENSITY FUNCTIONAL .（5） MOLECULAR DYNAMIC（5）
DFT（4） GRAPHENE OXIDE（4） DOCKING（2）
FULLERENE（2） MOLECULAR DYNAMICS .（2） SUPERCAPACITOR（2）
出版物 JOURNAL OF MOLECULAR MODELING（23）
出版时间 2020（23）
机构 BANGLADESH U.（2） FATIMA MATA .（2）
作者 ALMUQRIN AH（2） ALOTAIBI JS（2） MARY YS（2） RAHMAN MA（2）

Strengthening mechanisms of graphene in copper matrix nanocomposites: A molecular dynamics study

JOURNAL OF MOLECULAR MODELING

ZHANG YH, AN Q, LI JJ, LU BB, WU WW, XIA R

DFT study of the influence of impurities on the structural, electronic, optoelectronic, and nonlinear optical properties of graphene nanosheet functionalized by the carboxyl group -COOH

JOURNAL OF MOLECULAR MODELING

FOADIN CST, NYA FT, EJUH GW, MALLOUM A, CONRADIE J, NDJAKA JM

Gas separation using graphene nanosheet: insights from theory and simulation

JOURNAL OF MOLECULAR MODELING

FATEMI SM, FATEMI SJ, ABBASI Z

DFT and molecular docking studies of self-assembly of sulfone analogues and graphene

JOURNAL OF MOLECULAR MODELING

ALOTAIBI JS, ALMUQRIN AH, MARY YS, MARY YS, VAN ALSENOY C

First-principles studies of HF and HCl adsorption over graphene

JOURNAL OF MOLECULAR MODELING

RAN JW, HAO XG, LI K, WANG C, SONG X, SUN X, NING P

Spectral analysis and detailed quantum mechanical investigation of some acetanilide analogues and their self-assemblies with graphene and fullerene

JOURNAL OF MOLECULAR MODELING

ALMUQRIN AH, ALOTAIBI JS, MARY YS, THOMAS R, KAYA S, ISIN DO

Electrode surface modification of graphene-MnO2 supercapacitors using molecular dynamics simulations

JOURNAL OF MOLECULAR MODELING

GALIB M, HOSEN MM, SAHA JK, ISLAM MM, FIROZ SH, RAHMAN MA

An MD-based systematic study on the mechanical characteristics of a novel hybrid CNT/graphene drug carrier

JOURNAL OF MOLECULAR MODELING

MOHEBALI M, REZAPOUR N, SHADMANI P, MONTAZERI A

Electronic and transport properties of graphene nanoflakes with the protrusion of different widths

JOURNAL OF MOLECULAR MODELING

CHENG N, ZHANG LY, ZHAO JW, HE YY, DU BY

Surface dynamics of genomic DNAs upon lowering the pH, in the presence of graphene/AgNPs-based SERS detection platform

JOURNAL OF MOLECULAR MODELING

MUNTEAN CM, DINA NE, BITER TL, BRATU I, COROS M, SOCACI C, COSTE A