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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