国家/地区 China（3） Iran（2）
关键词 DFT METHOD（8）
出版物 CHEMICAL ENGINEERIN.（2）
出版时间 2017（2） 2018（2）
机构 NORTH CHINA .（2） UNIV BIRJAND（2）
作者 RAISSI H（2） SHAHABI M（2） WANG XK（2） ZHAO CF（2）

Sorption mechanism and dynamic behavior of graphene oxide as an effective adsorbent for the removal of chlorophenol based environmental-hormones: A DFT and MD simulation study

CHEMICAL ENGINEERING JOURNAL

WEI DL, ZHAO CF, KHAN A, SUN L, JI YF, AI YJ, WANG XK

The effect of pH on the U(VI) sorption on graphene oxide (GO): A theoretical study

CHEMICAL ENGINEERING JOURNAL

AI Y, LIU YJ, LAN WY, JIN JR, XING JL, ZOU YD, ZHAO CF, WANG XK

The graphene oxide membrane immersing in the aqueous solution studied by electrochemical impedance spectroscopy

MATERIALS RESEARCH EXPRESS

ZHANG YJ, CHEN Z, YAO L, WANG X, FU P, LIN ZD

Investigation of the solvent effect, molecular structure, electronic properties and adsorption mechanism of Tegafur anticancer drug on Graphene nanosheet surface as drug delivery system by molecular dynamics simulation and density functional approach

JOURNAL OF INCLUSION PHENOMENA MACROCYCLIC CHEMISTRY

SHAHABI M, RAISSI H

DFT Calculations and Molecular Dynamics Simulation Study on the Adsorption of 5-Fluorouracil Anticancer Drug on Graphene Oxide Nanosheet as a Drug Delivery Vehicle

JOURNAL OF INORGANIC ORGANOMETALLIC POLYMERS MATERIALS

SAFDARI F, RAISSI H, SHAHABI M, ZABOLI M

Spin currents and filtering behavior in zigzag graphene nanoribbons with adsorbed molybdenum chains

JOURNAL OF PHYSICSCONDENSED MATTER

GARCIAFUENTE A, GALLEGO LJ, VEGA A

Amino-functionalized nitrogen-doped graphene quantum dots and silver-graphene based nanocomposites: Ultrafast charge transfer and a proof-of-concept study for bioimaging applications

JOURNAL OF PHOTOCHEMISTRY PHOTOBIOLOGY ACHEMISTRY

KARATAY A, ERDENER D, GURCAN C, YILDIZ EA, YILMAZER A, BOYACIOGLU B, UNVER H, YILDIZ M, ELMALI A

Significance of different dopamine species as reducing agents of graphene oxide: Fundamental aspects

SURFACE SCIENCE

DOMANCICH NF, FUENTE SA, FERNANDEZ ACR, MEIER LA, CASTELLANI NJ