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Structural and electronic properties of PFOS and LiPFOS |
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| Authors: | akir Erko Figen Erko |
| Institution: | a Department of Physics, Middle East Technical University, 06531 Ankara, Turkey b Department of Biology Education, Gazi University, 06500 Ankara, Turkey |
| Abstract: | The structural and electronic properties of perfluorinated surfactants perfluorooctane sulfonate (PFOS) and lithium perfluorooctane sulfonate (LiPFOS) have been investigated theoretically by performing semi-empirical molecular orbital theory at the level of AM1 calculations. The optimized structure and the electronic properties of the molecules are obtained. |
| Keywords: | PFOS LiPFOS AM1 method |
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