Conformational analysis of a model of the sidechains in perfluorosulfonated membranes

Electrochimica Acta

Volumn 45, Issue 19, 2000, Pages 3055-3061

  Johansson, Patrik ^a   Tegenfeldt, Jörgen ^a   Lindgren, Jan ^a  

^a UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CONFORMATIONS; HYDROGEN BONDS; IONOMERS; MATHEMATICAL MODELS; SOLVENTS;

CONFORMATIONAL ANALYSIS; PERFLUOROSULFONATED MEMBRANES;

POLYELECTROLYTES;

EID: 84962388424     PISSN: 00134686     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0013-4686(00)00397-2     Document Type: Article

References (21)

1. Nafion® is a registered trademark of E.I. DuPont de Nemours.
2. Heitner-Wirguin C. J. Membr. Sci. 120:1996;1.
3. Gottesfeld S., Zawodzinski T.A. Alkire R.C., Gerischer H., Kolb D.M., Tobias C.W. Advances in Electrochemical Science and Engineering. 5:1997;Wiley, New York.
4. Dyakov Y.A., Tovbin Y.K. Russ. Chem. Bull. 44:1995;1186.
5. Buzzoni R., Bordiga S., Ricchiardi G., Spoto G., Zecchina A. J. Phys. Chem. 99:1995;11937.
6. Paddison S.J., Zawodzinski T.A. Jr Solid State Ionics. 113-115:1998;333.
7. Yeager H.L., Steck A. J. Electrochem. Soc. 128:1981;1880.
8. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T., Petersson G.A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.B., Cioslowski J., Stefanov B.B., Nanayakkara A., Challacombe M., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andres J.L., Replogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzalez C., Pople J.A. Gaussian 94: Revision B.2. 1995;Gaussian, Pittsburgh.
9. J.B. Foresman, Æ. Frisch, Exploring Chemistry with Electronic Structure Methods, second ed., Gaussian, 1996.
10. Gejji S.P., Tegenfeldt J., Lindgren J. Chem. Phys. Lett. 226:1994;427.
11. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
12. Becke A.D. J. Chem. Phys. 88:1988;2547.
13. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
14. Miertus S., Scrocco E., Tomasi J. Chem. Phys. 55:1981;117.
15. Foresman J.B., Keith T.A., Wiberg K.B., Snoonian J., Frisch M.J. J. Phys. Chem. 100:1996;16098.
16. Keith T.A., Frisch M.J. Gaussian 94 manual ref.157. 1995;Gaussian, Pittsburgh.
17. Falk M. Can. J. Chem. 58:1980;1495.
18. Parra R.D., Zeng X.C. J. Phys. Chem. A. 102:1998;654.
19. Fontaine M., Delhalle J., Defranceschi M., Lecayon G., Boissel J. Int. J. Quantum Chem. 46:1993;171.
20. Fontaine M., Delhalle J., Defranceschi M., Lecayon G. J. Mol. Struct. (Theochem). 330:1995;161.
21. Hinatsu J.T., Mizuhata M., Takenaka H. J. Electrochem. Soc. 141:1994;6.