OCTANOL

作品数：24被引量：55H指数：4
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相关领域：理学更多>>
相关作者：张倩鲍忠剑更多>>
相关机构：中国药科大学中国农业大学更多>>
相关期刊：《Modern Research in Catalysis》《China Petroleum Processing & Petrochemical Technology》《Transactions of Tianjin University》《Chinese Journal of Chemical Engineering》更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划国家高技术研究发展计划天津市自然科学基金更多>>
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Structural Characterization and Octanol/water Partition Coefficients(LogP) Prediction for Oxygen-containing Organic Compounds被引量：8
《Chinese Journal of Structural Chemistry》2017年第8期1243-1250,共8页廖立敏 黄茜 雷光东 
supported by the Youth Foundation of Education Bureau,Sichuan Province(13ZB0003)
New descriptors were constructed and structures of some oxygen-containing organic compounds were parameterized. The multiple linear regression（MLR） and partial least squares regression（PLS） methods were employed t...
关键词：oxygen-containing organic compounds octanol/water partition coefficients（LogP） structural descriptors relationship between structures and properties 
QSPR Studies on the Octanol/water Partition Coefficient (lgK_(ow)) of Substituted Anilines with 2D and 3D Methods
《Chinese Journal of Structural Chemistry》2013年第3期387-395,共9页李小林 刘红玲 王遵尧 于红霞 
Supported by the NNSF of China (No. 20737001);Program for Environment Protection in Jiangsu Province (201140)
Octanol/water partition coefficient （Kow） is a crucial property for evaluating the environmental behavior and fate of organic compound. Herein, some quantitative structure-property relationship （QSPR） studies were...
关键词：octanol/water partition coefficient substituted anilines quantitative structure- property relationship multiple linear regression comparative molecular field analysis 
QSPR Study on Octanol/water Partition Coefficient (lgK_(ow)) of Substituted Naphthalin Compounds
《Chinese Journal of Structural Chemistry》2007年第3期281-286,共6页ZENG Xiao-Lan ZHAI Zhi-Cai WANG Zun-Yao ZHU Jin-Jin 
the China Post Doctoral Research Fund (No. 2003033486)
Structural parameters of 24 substituted naphthalin compounds were computed at four levels using Hartree-Fock and DFT methods. Based on the experimental data of octanol/water partition coefficient （lgKow）, three-para...
关键词：substituted napbthalin compounds linear solvation energy theory Hartree-Fock density functional theory QSPR octanol/water partition coefficient （lgKow） 
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