国家/地区 China（2） Mexico（2）
关键词 DFT（5）
出版物 JOURNAL OF MOLECULAR MODELING（5）
出版时间 2019（5）
机构
作者

DFT calculation of AsH3 adsorption and dissociation on Ni- and Cu-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, LI K, SUN X, SONG X, SUN HY, NING P

The effect of GGA functionals on the oxygen reduction reaction catalyzed by Pt(111) and FeN4 doped graphene

JOURNAL OF MOLECULAR MODELING

CHEN X, GE F, CHEN TT, LAI NJ

Functionalized graphene pieces to trap the insecticide imidacloprid: a theoretical analysis

JOURNAL OF MOLECULAR MODELING

PALOMINOASENCIO L, RAMIREZTORRES A, AVELAR J, GARZA J, GARCIAHERNANDEZ E

DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applications

JOURNAL OF MOLECULAR MODELING

VELAZQUEZLOPEZ LF, PACHECOORTIN SM, MEJIAOLVERA R, AGACINOVALDES E

Co-doped triel-pnicogen graphene as metal-free catalyst for CO oxidation: Role of multi-center covalency

JOURNAL OF MOLECULAR MODELING

SADEGHI S, AMANI M