H mTiSi n( m=1~2; n=2~8)团簇结构、电子性质和红外光谱的密度泛函理论研究

H _mTiSi _n( m=1~2; n=2~8)团簇结构、电子性质和红外光谱的密度泛函理论研究

李小军, 卢雪, 任宏江, 宋瑞娟

Density Functional Investigation of Structural, Electronic and Spectral Properties of the H _mTiSi _n ( m=1~2; n=2~8) Clusters

LI Xiao-jun, LU Xue, REN Hong-jiang, SONG Rui-juan

H _m TiSi _n ( m =1, 2, n =2~8)团簇二阶能量差分变化曲线