国家/地区 Iran（26）
关键词 MOLECULAR DYNAMICS .（8） GRAPHENE（7） DFT（4）
MECHANICAL PROPERTI.（3） ADSORPTION（2） DENSITY FUNCTIONAL .（2）
MOLECULAR DYNAMICS .（2） NANOSTRUCTURE（2） POROUS GRAPHENE（2）
WATER DESALINATION（2）
出版物 JOURNAL OF MOLECULAR MODELING（26）
出版时间 2019（6） 2017（4） 2020（4） 2014（3） 2021（3） 2015（2） 2018（2）
机构 ISLAMIC AZAD.（6） YAZD PAYAME .（3） UNIV ISFAHAN（2）
作者 KAZEMPOUR A（3） BEHJATMANESH.（2） LOHRASEBI A（2） PEYGHAN AA（2）

Gas separation using graphene nanosheet: insights from theory and simulation

JOURNAL OF MOLECULAR MODELING

FATEMI SM, FATEMI SJ, ABBASI Z

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

The topology impact on hydrogen storage capacity of Sc-decorated ever-increasing porous graphene

JOURNAL OF MOLECULAR MODELING

YASAREH F, KAZEMPOUR A, BEHJATMANESHARDAKANI R

Theoretical study of nitrogen, boron, and co-doped (B, N) armchair graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

JAVAN M, JORJANI R, SOLTANI AR

Conformational switching of CO on graphene: the role of electric fields

JOURNAL OF MOLECULAR MODELING

ZAREI F, KAZEMPOUR A, BEHJATMANESHARDAKANI R

Modeling water purification by an aquaporin-inspired graphene-based nano-channel

JOURNAL OF MOLECULAR MODELING

LOHRASEBI A, KOSLOWSKI T

Mechanical properties of carbon nanotube- and graphene-reinforced Araldite LY/Aradur HY 5052 resin epoxy composites: a molecular dynamics study

JOURNAL OF MOLECULAR MODELING

FARAGI S, HAMEDANI A, ALAHYARIZADEH G, MINUCHEHR A, AGHAIE M, ARAB B

Boron decorated graphene nanosheet as an ultrasensitive sensor: the role of coverage

JOURNAL OF MOLECULAR MODELING

FANI SL, TAVANGAR Z, KAZEMPOUR A

Influence of various setting angles on vibration behavior of rotating graphene sheet: continuum modeling and molecular dynamics simulation

JOURNAL OF MOLECULAR MODELING

AKBARSHAHI A, RAJABPOUR A, GHADIRI M, BAROOTI MM

Co-doped triel-pnicogen graphene as metal-free catalyst for CO oxidation: Role of multi-center covalency

JOURNAL OF MOLECULAR MODELING

SADEGHI S, AMANI M