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CNDO/2 Calculations for Hydroxy Stretching Bands of Intramolecular Hydrogen Bonds incis−Cyclohexane-1,3-Diol andcis−3-Aminocyclohexanol

 

作者: Mamoru Takasuka,  

 

期刊: Spectroscopy Letters  (Taylor Available online 1981)
卷期: Volume 14, issue 10  

页码: 695-701

 

ISSN:0038-7010

 

年代: 1981

 

DOI:10.1080/00387018108062630

 

出版商: Taylor & Francis Group

 

关键词: Intramolecular Hydrogen Bond;CNDO/2 Calculation

 

数据来源: Taylor

 

摘要:

CNDO/2 calculations are used to predict the hydroxy stretching frequency and intensity of the intramolecular hydrogen bonds in the title compounds. The predictions are compared with experimental data.

 

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