国家/地区 China（2） Mexico（2）
关键词 GRAPHENE（5） DENSITY FUNCTIONAL .（2） DFT（2）
出版物 JOURNAL OF MOLECULAR MODELING（6）
出版时间 2012（6）
机构 HARBIN NORMA.（2）
作者 CAI QH（2） GAO B（2） ZHAO JX（2）

Interaction between an icosahedron Li-13 cluster and a graphene layer doped with a hydrogen atom

JOURNAL OF MOLECULAR MODELING

RANGEL E, VAZQUEZ G, MAGANA F, SANSORES E

Odd-electron molecular theory of graphene hydrogenation

JOURNAL OF MOLECULAR MODELING

SHEKA EF, POPOVA NA

First principles studies of the graphene-phenol interactions

JOURNAL OF MOLECULAR MODELING

HERNANDEZ JMG, ANOTA EC, DE LA CRUZ MTR, MELCHOR MG, COCOLETZI GH

Chemical functionalization of graphene via aryne cycloaddition: a theoretical study

JOURNAL OF MOLECULAR MODELING

ZHAO JX, WANG HX, GAO B, WANG XG, CAI QH, WANG XZ

Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction

JOURNAL OF MOLECULAR MODELING

CHEN Y, GAO B, ZHAO JX, CAI QH, FU HG

First principles investigation of oxygen adsorptions on hydrogen-terminated ZnO graphene-like nanosheets

JOURNAL OF MOLECULAR MODELING

KAEWRUKSA B, RUANGPORNVISUTI V