国家/地区 India（2）
关键词 DFT（3） ADSORPTION（2） DENSITY FUNCTIONAL .（2）
GRAPHENE（2） GRAPHENE NANOFLAKE（2）
出版物 STRUCTURAL CHEMISTRY（6）
出版时间 2020（6）
机构
作者

Adsorption of H(2)molecules on B/N-doped defected graphene sheets-a DFT study

STRUCTURAL CHEMISTRY

AKILAN R, VINNARASI S, MOHANAPRIYA S, SHANKAR R

Transition metal-doped graphene nanoflakes for CO and CO(2)storage and sensing applications: a DFT study

STRUCTURAL CHEMISTRY

PROMTHONG N, TABTIMSAI C, RAKRAI W, WANNO B

Adsorption of methyl isocyanate on M-4 (M=Fe, Ni, and Cu) cluster-decorated graphene and vacancy graphene: a DFT-D2 study

STRUCTURAL CHEMISTRY

JOGENDER, MANDEEP, BADHANI B, KAKKAR R

Behavior of anchor functionalized ZnPc molecules on a graphene nanoflake near membrane cell

STRUCTURAL CHEMISTRY

PICAUD F, DUVERGER E, STAUFFER L, SONNET P

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

STRUCTURAL CHEMISTRY

DASTANI N, ARAB A, RAISSI H

Noncovalent functionalization of graphene via pi-hole center dot center dot center dot pi and sigma-hole center dot center dot center dot pi interactions

STRUCTURAL CHEMISTRY

ZHANG YH, LI YL, YANG JM, ZHOU PP, XIE KF