国家/地区 China（3）
关键词 DENSITY FUNCTIONAL THEORY（6）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（6）
出版时间 2019（2） 2020（2）
机构
作者

Electronic structure, cohesive and magnetic properties of iridium oxide clusters adsorbed on graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

AYSAN II, GORKAN T, OZDEMIR I, KADIOGLU Y, GOKOGLU G, AKTURK E

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

Interactions of graphene derivatives with glutamate-neurotransmitter: A parallel first principles - Docking investigation

JOURNAL OF MOLECULAR GRAPHICS MODELLING

TONEL MZ, GONZALEZDURRUTHY M, ZANELLA I, FAGAN SB

Reversible hydrogen adsorption on Li-decorated T-graphene flake: The effect of electric field

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SAEDI L, ALIPOUR E, JAVANSHIR Z, VAHABI V

Can Si-doped graphene activate or dissociate O-2 molecule?

JOURNAL OF MOLECULAR GRAPHICS MODELLING

CHEN Y, YANG XC, LIU YJ, ZHAO JX, CAI QH, WANG XZ

Band structure of graphene modulated by Ti or N dopants and applications in gas sensoring

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ZHANG HP, LUO XG, LIN XY, ZHANG YP, TANG PP, LU X, TANG YH