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- W2363773160 abstract "Quantum-chemical descriptors were used to describe the molecular structure of nonionic surfactants.The relationship between molecular structure and physicochemical properties for 44 nonionic surfactants were investigated using quantum chemistry method with AM1 and DFT.Based upon various quantum-chemical descriptors as well as nonionic surfactants of different C-atoms in the hydrophobic alkyl chain,multiple linear regression analysis was carried out and the QSPR models were established.The regression results show that the impact of EHOMO) and the electric charge parameter on cmc and γcmc) is rather big and they reflect the valence bond interaction between the nonionic surfactant and water molecules as well as the electrostatic action respectively." @default.
- W2363773160 created "2016-06-24" @default.
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- W2363773160 date "2003-01-01" @default.
- W2363773160 modified "2023-09-25" @default.
- W2363773160 title "Study of quantitative structure-property relationship of nonionic surfactants" @default.
- W2363773160 hasPublicationYear "2003" @default.
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