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A QSAR Model of the OH Radical Reaction with CFC's

 

作者: L.B. Kier,   L.H. Hall,  

 

期刊: SAR and QSAR in Environmental Research  (Taylor Available online 1995)
卷期: Volume 3, issue 2  

页码: 97-100

 

ISSN:1062-936X

 

年代: 1995

 

DOI:10.1080/10629369508233997

 

出版商: Taylor & Francis Group

 

关键词: OH radical;CFC;molecular connectivity;kappa shape;electrotopological state

 

数据来源: Taylor

 

摘要:

An equation modeling the rate of hydroxyl radical extraction of hydrogen from CFC's has been created. Three non-empirical structure indices have been identified in this QSAR equation; a molecular connectivity branching index, a kappa shape parameter and a carbon atom electrotopological state value. The interpretation of the indices in structural terms is straightforward. The statistical quality of the equation suggests that it may be of general utility in predicting reactivities of CFC's.

 

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