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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,wuhan 430079,{12."
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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 chemistry 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 pesticide 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 430079,{12. 1. Key laboratory of pesticide 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 27 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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