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多面体分子轨道的程序设计
PROGRAM DESIGN FOR MOLECULAR ORBITAL of POLYHEDRON

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多面体分子轨道的程序设计.pdf (202.7Kb)
Date
1999
Author
林银钟
颜宝圆
陈鸿博
魏光
廖代伟
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  • 化学化工-已发表论文 [14237]
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Abstract
基于多面体分子轨道的群论方法和等性杂化轨道的构造法, 应用 C 语言编制了多面体分子轨道微机程序, 该程序可方便地计算出多面体分子轨道的轨道性格、群轨道和杂化轨道等。
 
Based on methods of both the group theory and the construction of identical hybrid orbital, the PC-program of molecular orbital of polyhedron was compiled using C language.The orbital characters, group orbitals and hybrid orbitals of polyhydron molecules can be easily computed using this program.
 
Citation
计算机与应用化学,1999,(4):72-76
URI
https://dspace.xmu.edu.cn/handle/2288/107666

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