国家/地区 Iran（4）
关键词 NBO（6）
出版物 COMPUTATIONAL THEOR.（2）
出版时间 2019（2）
机构
作者 RAISSI H（3） ARAB A（2） DASTANI N（2）

DFT computational study towards investigating Cladribine anticancer drug adsorption on the graphene and functionalized graphene

STRUCTURAL CHEMISTRY

DASTANI N, ARAB A, RAISSI H

The Reactions of Carbon Monoxide Catalytic Oxidation on Ti and Zr-embedded Graphene, a DFT Study

MATERIALS SCIENCEMEDZIAGOTYRA

XIE FM, JIANG JW, TANG JY, LU J, DAI GL, CHEN GL

Anion center dot center dot center dot pi interaction in oxoanion-graphene complex using coronene as model system: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

SAHA B, BHATTACHARYYA PK

Screening of the structural, topological, and electronic properties of the functionalized Graphene nanosheets as potential Tegafur anticancer drug carriers using DFT method

JOURNAL OF BIOMOLECULAR STRUCTURE DYNAMICS

SHAHABI M, RAISSI H

Study of dimethyl ester interaction on the surface of Ga-doped graphene: Application of density functional theory

JOURNAL OF MOLECULAR LIQUIDS

RAD AS

DFT study of Ni-doped graphene nanosheet as a drug carrier for multiple sclerosis drugs

COMPUTATIONAL THEORETICAL CHEMISTRY

DASTANI N, ARAB A, RAISSI H