| 配位场微扰能级计算程序设计 |
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| 引用本文： | 朱苗力. 配位场微扰能级计算程序设计[J]. 吉首大学学报(自然科学版), 1991, 0(1) |
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| 作者姓名： | 朱苗力 |
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| 作者单位： | 吉首大学化学系 |
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| 摘 要： | 本文报道了用FORTRAN77语言设计配位场微扰能级的计算机程序.程序适用于多d电子组态的立方、四方配位场情况,程序灵活可用于多种配位数,计算实例与文献吻合.
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| 关 键 词： | 配位场微扰能级 多d电子组态 程序设计 |
A Computer Program of Perturbational Energy Levels of Ligand Field |
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| Zhu Miaoli. A Computer Program of Perturbational Energy Levels of Ligand Field[J]. Journal of Jishou University(Natural Science Edition), 1991, 0(1) |
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| Authors: | Zhu Miaoli |
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| Affiliation: | Chemistry Department of Jishou University |
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| Abstract: | A program of perturbatjonal energy leves of Ugand field is reported in the paper. The Program is Suited to many-d electron Configuratron of transition metal sys tem in the Cubic and tetragoal symmetry field. It has many advantages: nimblenss, easy to use and developmet. Concordant results are obtained by the calculating example of Vitamin B12 and reference. |
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| Keywords: | peturbatonal Energy Levels of Ligand Field many-d electron c onfiguration program Design |
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