2-DIMENSIONAL AND 3-DIMENSIONAL STRUCTURE SEARCH TO SOLVE SPECTROSCOPIC PROBLEMS IN INDUSTRY

被引：0

作者：

ADLER, B

DOBERS, S

WILL, J

机构：

[1] Kombinat VEB Chemische Werke BUNA

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1990年 / 217卷

关键词：

D O I：

10.1016/0022-2860(90)80369-U

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

2 and 3 dimensional struture mappings are used to solve different problems of spectroscopy. Techniques for structure encoding and their applications for structure elucidation was discussed. Specially for the fuzzy mapping of chemical structures the use of distance spectra was treated. Furthermore, the problem of method oriented substructure code was discussed in connection with the problem spectra simulation. In case of the infrared and RAMAN spectroscopy is given an example for an online simulation. © 1990.

引用

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页码：297 / 306

页数：10

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