国家/地区 China（7） Mexico（3）
关键词 GRAPHENE（4） DFT（3） MOLECULAR DYNAMICS .（3）
DENSITY FUNCTIONAL .（2） INTERACTION ENERGY（2）
出版物 JOURNAL OF MOLECULAR MODELING（16）
出版时间 2022（16）
机构
作者 GU ZL（2） PEREZAGUILAR.（2）

Fluorinated graphene nanomaterial causes potential mechanical perturbations to a biomembrane

JOURNAL OF MOLECULAR MODELING

GU ZL, XIE GH, PEREZAGUILAR JM

Bending modulus of the rippled graphene: the role of thickness

JOURNAL OF MOLECULAR MODELING

WANG MJ, JIAO L, ZHU RR, TAN ZQ, DAI SY, LIU LZ

Design of graphene and nanotubes from aromatic compounds: a theoretical study

JOURNAL OF MOLECULAR MODELING

LATEEF AA, OBAYES HR

Graphene-based SiC Van der Waals heterostructures: nonequilibrium molecular dynamics simulation study

JOURNAL OF MOLECULAR MODELING

ZANANE FZ, SADKI K, DRISSI LB, SAIDI EH

Electronic properties and reactivity of oxidized graphene nanoribbons and their interaction with phenol

JOURNAL OF MOLECULAR MODELING

GUEVARAMARTINEZ SJ, VILLANUEVAMEJIA F, OLMOS L, NAVARROSANTOS P, ARROYOALBITER M

Enhancement of NLO properties of supersalt (Al(BH4)(3))-doped graphene: a DFT study

JOURNAL OF MOLECULAR MODELING

HUMERA, BHATTI IA, MOHSIN M, AMJAD N, SHEHZAD RA, AYUB K, IQBAL J, TAHA TA

Adsorption of water on C sites vacancy defected graphene/h-BN: First-principles study

JOURNAL OF MOLECULAR MODELING

NEUPANE HK, ADHIKARI NP

Thermal rectification in ultra-narrow hydrogen functionalized graphene: a non-equilibrium molecular dynamics study

JOURNAL OF MOLECULAR MODELING

SHARIFI M, HEIDARYAN E

DFT study of common anions adsorption at graphene surface due to anion-pi interaction

JOURNAL OF MOLECULAR MODELING

FAN XZ, LIU X, HE ZL, ZHU KY, SHI GS

1,1-Dimethylhydrazine adsorption on intrinsic, vacancy, and N-doped graphene: a first-principle study

JOURNAL OF MOLECULAR MODELING

WANG HY, JIA Y, HAO ZW, XIAO JX