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Li Xinhua, Zhu Longguan, Yu Qingsen. The Octanol-Water Partition Coefficient:The Effect of Electronic Interactions[J]. Chinese Journal of Chemical Physics , 2000, 13(4): 468-472. DOI: 10.1088/1674-0068/13/4/468-472
Citation: Li Xinhua, Zhu Longguan, Yu Qingsen. The Octanol-Water Partition Coefficient:The Effect of Electronic Interactions[J]. Chinese Journal of Chemical Physics , 2000, 13(4): 468-472. DOI: 10.1088/1674-0068/13/4/468-472
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The Octanol-Water Partition Coefficient:The Effect of Electronic Interactions

  • Department of Chemistry,Zhejiang University,Yuquan Campus,Hangzhou 310027

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  • Received Date: October 14, 1999
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  • A novel quantum-topology method was presented,which can reflect effectively the electronic interaction effect and steric effect in calulation from structure of the hydrophobic parameter,LogP(octanol-water).This makes possible prediction of partition coefficient more accurately from structure.
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