多晶顺磁共振谱的拟合  

The Computer Simulations of Electronic Paramagnetic Resonance (EPR) for Poly crystal line Systems

作　　者：陈振涛[1] 孙琼丽[1] 黄新[1] 

机构地区：[1]中国科学院福建物质结构研究所

出　　处：《Chinese Journal of Structural Chemistry》1993年第6期424-429,共6页结构化学（英文）

摘　　要：对电子自旋1/2≤S<3.5,核自旋1/2≤I<4.5和配体少于10个的顺磁体系的多晶EPR谱的拟合进行研究。在VAX-11/785计算机上用FORTRAN语言建立EPR谱模拟程序包,计算了多个例子,获得较为满意的结果。The EPR for the polycrystalline systems with their electronic and nuclear spin quantum numbers in the ranges of 1/2≤S<3.5 and 1/2≤I<4.5 respectively can be simulated by using our simulation programm which is performed on a VAX-11/785 computer.The language used is FORTRAN by which the programm packages have been established for the simulation.A few typical examples are provided to display the results well simulated.

关 键 词：计算机模拟 电子自旋共振 多晶 

分 类 号：O73[理学—晶体学]