Density functional theory calculation of lipophilicity for organophosphate type pesticides
Density functional method with continuum solvation model is used for calculation of partition coefficient logKOW and determination of lipophilicity of 22 most frequently used organophosphate type pesticides. Excellent agreement with experimental data is obtained using three different den...
Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
Serbian Chemical Society
2017-01-01
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Series: | Journal of the Serbian Chemical Society |
Subjects: | |
Online Access: | http://www.doiserbia.nb.rs/img/doi/0352-5139/2017/0352-51391700104V.pdf |