国家/地区 Iran（7） India（6） China（3） Thailand（3）
Usa（3）
关键词 DFT（14） GRAPHENE（9） ADSORPTION（6）
DENSITY FUNCTIONAL .（3） DRUG DELIVERY（3） MOLECULAR DYNAMIC（3）
B（2） FULLERENE（2） GRAPHENE NANOFLAKE（2）
HYDROGEN STORAGE（2） PHYSISORPTION（2） TRANSITION METAL（2）
出版物 STRUCTURAL CHEMISTRY（31）
出版时间 2020（6） 2018（5） 2017（4） 2023（4） 2021（3） 2010（2） 2015（2）
机构 BHARATHIAR U.（2） JACKSON STAT.（2） MAHASARAKHAM.（2）
作者 JOGENDER（3） KAKKAR R（3） LESZCZYNSKI .（2） MANDEEP（2）
SHANKAR R（2） TABTIMSAI C（2） WANNO B（2）

DFT study on binding of single and double methane with aromatic hydrocarbons and graphene: stabilizing CH (center dot center dot center dot) HC interactions between two methane molecules

STRUCTURAL CHEMISTRY

LAZARE J, DAGGAG D, DINADAYALANE T

Structural and electronic properties of the adsorption molecules on Co and Fe/N-doped graphene towards the application in direct liquid fuel cell

STRUCTURAL CHEMISTRY

KARIM NA, SHAMSUL NS, ALIAS MS, KAMARUDIN SK

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

Fluorine-functionalized nanoporous graphene as an effective membrane for water desalination

STRUCTURAL CHEMISTRY

JAFARZADEH R, AZAMAT J, ERFANNIYA H

Computational studies on the doped graphene quantum dots as potential carriers in drug delivery systems for isoniazid drug

STRUCTURAL CHEMISTRY

VATANPARAST M, SHARIATINIA Z