Density functional theory calculation of lipophilicity for organophosphate type pesticides

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...

書誌詳細
主要な著者:	Vlahović Filip, Ivanović Saša, Zlatar Matija, Gruden Maja
フォーマット:	論文
言語:	English
出版事項:	Serbian Chemical Society 2017-01-01
シリーズ:	Journal of the Serbian Chemical Society
主題:	DFT lipophilicity organophosphate pesticides toxicity partition coefficient log KOW
オンライン･アクセス:	http://www.doiserbia.nb.rs/img/doi/0352-5139/2017/0352-51391700104V.pdf

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