应用MICC理论研究氦原子对氢分子特征轮廓的影响  

The study of the effect of helium atom on hydrogen molecule by molecular intrinsic characteristic contour theory

作　　者：赵东霞[1] 李恩博[1] 

机构地区：[1]辽宁师范大学化学化工学院,辽宁大连116029

出　　处：《辽宁师范大学学报（自然科学版）》2007年第1期70-73,共4页Journal of Liaoning Normal University:Natural Science Edition

基　　金：国家自然科学基金资助项目(20403007)

摘　　要：应用分子内禀特征边界轮廓理论(MICC)分别研究了氦原子沿氢分子键轴、垂直氢分子键轴方向接近氢分子时,氢分子特征轮廓半径及电子密度的变化.在这两种情况中,氦原子对氢分子的影响均是沿作用线内侧的氢分子特征轮廓半径及电子密度变化强于其它方向的半径及电子密度变化.Study of the effect of helium atom on hydrogen molecule has been carried out by molecular intrinsic characteristic contour theory. There are two situations that have been considered. One is helium atom approaching hydrogen molecule along the hydrogen molecular bond axes, while the other is on the vertical hydrogen molecular bond axes. It is shown that in the two cases, the effect on hydro- gen molecule by helium atom along the inner side of the interaction line is stronger than in any other direction in respects of the radius of hydrogen molecular characteristic contour and the electron density.

关 键 词：分子内禀特征边界轮廓 氢分子 氯原子 

分 类 号：O641.3[理学—物理化学]