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检索条件"作者=Department of Applied Chemistry,College of Science,China Agricultural university,Beijing 100193,China 2.ey Laboratory of Pesticide & Chemical Biology,Ministry of Education,Huazhong Normal university,{2. 430079,China"
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QSAR and 3D-QSAR studies of the diacyl-hydrazine derivatives containing furan rings based on the density functional theory
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science china {2. 2010年 第6期53卷 1322-1331页
作者： ZHANG Li1,2.CUI ZiNing1,YIN Bin1,YANG GuangFu2.LING Yun1 & YANG XinLing1 1Key laboratory of {2. chemistry and Application Technology,ministry of Agriculture department of applied chemistry,college of science,china agricultural university,beijing 100193,china 2.ey laboratory of pesticide & chemical biology,ministry of education,huazhong normal university,Wuhan {12.,china 1. Key laboratory of {2. chemistry and Application Technology Ministry of Agriculture department of applied chemistry College of Science China Agricultural University Beijing 100193 China2. Key Laboratory of Pesticide & Chemical Biology Ministry of Education Huazhong Normal University Wuhan 430079 China
QSAR studies of 2. diacyl-hydrazine derivatives containing furan rings were conducted and compared with the DFT method and AM1-MOPAC method.q2.values of 0.61 and 0.40 validated the predictability and reliability of eq... 详细信息
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