国家/地区 India（4） Iran（3）
关键词 DFT（13）
出版物 JOURNAL OF MOLECULAR LIQUIDS（13）
出版时间 2021（5） 2022（3） 2023（3） 2020（2）
机构
作者 ALSALME A（2） ALZAQRI N（2） GHENAATIAN H.（2） KAMATH G（2）
MARY YS（2） POOVENTHIRAN.（2） SHAKOURIANFA.（2） TAIMOORY SM（2）
THOMAS R（2）

Spectral analysis and DFT investigation of some benzopyran analogues and their self-assemblies with graphene

JOURNAL OF MOLECULAR LIQUIDS

ALOTAIBI JS, MARY YS, MARY YS, KAYA S, ERKAN S

Unraveling the effect of nitrogen doping on graphene nanoflakes and the adsorption properties of ionic liquids: A DFT study

JOURNAL OF MOLECULAR LIQUIDS

SHAKOURIANFARD M, GHENAATIAN HR, KAMATH G, TAIMOORY SM

A DFT study of the adsorption of deep eutectic solvents onto graphene and defective graphene nanoflakes

JOURNAL OF MOLECULAR LIQUIDS

SHAKOURIANFARD M, TAIMOORY SM, GHENAATIAN HR, KAMATH G, TRANT JF

Which is better for Lindane pesticide adsorption, graphene or graphene oxide? An experimental and DFT study

JOURNAL OF MOLECULAR LIQUIDS

MEHMETI V, HALILI J, BERISHA A

Experimental and theoretical study of solvent effect in graphene oxide

JOURNAL OF MOLECULAR LIQUIDS

LUDWIG V, DE LIMA AH, MODESTOCOSTA L, LUDWIG ZMD, DE MENDONCA JPA, QUIRINO WG, SATO F

Adsorption of Pyrimidin-2-amine (PA) on Graphene Quantum Dots (GQDs): Non-covalent Interaction Study

JOURNAL OF MOLECULAR LIQUIDS

ULLAH Z, KIM HJ, MARY YS, ZHAN X, KWON HW

Sugar moiety driven adsorption of nucleic acid on graphene quantum dots: Photophysical, thermodynamic and theoretical evidence

JOURNAL OF MOLECULAR LIQUIDS

MAITI S, KARMAKAR S, KUNDU S, ROY CN, DAS TK, CHAKRABORTY B, SAHA A

Understanding interactions between graphene and local anesthetic molecules applied in dentistry - Towards the prolonged effects of local anesthesia

JOURNAL OF MOLECULAR LIQUIDS

ARMAKOVIC S, MIRJANIC D, PELEMIS SS, ARMAKOVIC SJ

Theoretical investigation of phenol adsorption on functionalized graphene using DFT calculations for effective removal of organic contaminants from wastewater

JOURNAL OF MOLECULAR LIQUIDS

GHAHGHAEY Z, HEKMATI M, GANJI MD

Functionalized (-HCO, -OH,-NH2) Iridium-doped graphene (Ir@Gp) nanomaterials for enhanced delivery of Piroxicam: Insights from quantum chemical calculations

JOURNAL OF MOLECULAR LIQUIDS

LOUIS H, BENJAMIN I, ILOANYA AC, UBAH CB, ESSIEN AE, OKON GA, ADEYINKA AS