UPPER .2. CALCULATION OF PHYSICAL-PROPERTIES OF THE CHLOROBENZENES

被引：11
作者：
YALKOWSKY, SH
MYRDAL, P
DANNENFELSER, RM
SIMAMORA, P
机构：
[1] College of Pharmacy, University of Arizona, Tucson
来源：
CHEMOSPHERE | 1994年 / 28卷 / 09期
关键词：
D O I：
10.1016/0045-6535(94)90425-1
中图分类号：
X [环境科学、安全科学];
学科分类号：
08 ; 0830 ;
摘要：
The twelve chlorobenzenes are used to evaluate the previously described UPPER scheme. Twenty-one physical properties are calculated strictly from molecular structure with no adjustable or fitted parameters and compared with experimental values. The UPPER scheme does reasonably well with estimatinq all of the considered properties.
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收藏
页码：1675 / 1688
页数：14
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