Structural and electronic properties of PFOS and LiPFOS

Date

2001-08-13

Author

Erkoç, Şakir
Erkoc, F

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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 AM I calculations. The optimized structure and the electronic properties of the molecules are obtained. (C) 2001 Elsevier Science BN. All rights reserved.

Subject Keywords

AM1 method, PFOS, LiPFOS

URI

https://hdl.handle.net/11511/51126

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(01)00553-x

Collections

Department of Physics, Article

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Citation Formats

Ş. Erkoç and F. Erkoc, “Structural and electronic properties of PFOS and LiPFOS,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 289–293, 2001, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/51126.