IGOR2:一个生成新反应和分子结构的pc程序

Tetrahedron Computer Methodology Pub Date : 1989-01-01 DOI:10.1016/0898-5529(89)90034-1

Johannes Bauer ∗

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引用次数: 26

摘要

PC程序IGOR2可以用来生成化学反应和分子的结构特征。介绍了IGOR2的工作方式和实际应用。通过详细描述的示例运行说明了它的应用。IGOR2程序和示例数据文件包含在磁盘上。该手册作为附录包括在内。

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IGOR2: a PC-program for generating new reactions and molecular structures

The PC program IGOR2 can be used to generate chemical reactions as well as structural features of molecules. The mode of operation and the practical use of IGOR2 are explained. Its application is illustrated by example runs that are described in detail. The IGOR2 program and the example data files are included on disk. The manual is included as an appendix.

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Tetrahedron Computer Methodology

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