国家/地区 China（3）
关键词
出版物 JOURNAL OF MOLECULAR MODELING（3）
出版时间 2019（2）
机构 KUNMING UNIV.（2）
作者 LI Y（3）

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

Density functional theory analysis of selective adsorption of AsH3 on transition metal-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, SUN X, ZHOU LL, NING P, TANG LH

The effects of external electric field: creating non-zero first hyperpolarizability for centrosymmetric benzene and strongly enhancing first hyperpolarizability for non-centrosymmetric edge-modified graphene ribbon H2N-(3,3)ZGNR-NO2

JOURNAL OF MOLECULAR MODELING

BAI Y, ZHOU ZJ, WANG JJ, LI Y, WU D, CHEN W, LI ZR, SUN CC