国家/地区 China（2）
关键词 DENSITY FUNCTIONAL THEORY（4）
出版物 JOURNAL OF MOLECULAR MODELING（4）
出版时间 2018（4）
机构
作者

The spin filtering effect and negative differential behavior of the graphene-pentalene-graphene molecular junction: a theoretical analysis

JOURNAL OF MOLECULAR MODELING

BHATTACHARYA B, MONDAL R, SARKAR U

Computational study of the NO, SO2, and NH3 adsorptions on fragments of 3N-graphene and Al/3N graphene

JOURNAL OF MOLECULAR MODELING

SONG YD, WANG L, WANG QT

Computational investigation of double nitrogen doping on graphene

JOURNAL OF MOLECULAR MODELING

HERATH D, DINADAYALANE T

Theoretical insights on the oxygen-reduction reaction mechanism of LaN4-embedded graphene

JOURNAL OF MOLECULAR MODELING

SUN XX, LI K, YIN C, WANG Y, TANG H, WU ZJ