Segment polarizabilities for microelectrostatic calculations in poly(ethylene oxide)

Chemical Physics Letters

Volumn 382, Issue 3-4, 2003, Pages 258-264

  Eilmes, A ^a,b  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

MACROGOL; POLYETHYLENE;

ARTICLE; CALCULATION; CONFORMATION; ELECTRICITY; ELECTRON TRANSPORT; ENERGY; MOLECULAR MECHANICS; POLARIZATION;

EID: 0345724970     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2003.10.096     Document Type: Article

References (18)

1. Eilmes A., Munn R.W., Góra A. J. Chem. Phys. 119:2003;11467.
2. Munn R.W. J. Chem. Phys. 114:2001;5404.
3. Eilmes A., Munn R.W., Mavrantzas V.G., Theodorou D.N., Góra A. J. Chem. Phys. 119:2003;11458.
4. Stone A.J., Hättig C., Jansen G., Ángyán J.G. Mol. Phys. 89:1996;595.
5. Denbigh K.G. Trans. Faraday Soc. 36:1940;936.
6. Applequist J., Carl J.R., Fung K.-K. J. Am. Chem. Soc. 94:1972;2952.
7. Vogel A.J. J. Chem. Soc. 1833:1948.
8. Miller K.J. J. Am. Chem. Soc. 112:1990;8533.
9. Frisch M.J.et al. GAUSSIAN 98, rev. A.7. 1998;Gaussian, Inc. Pittsburgh.
10. Sadlej A.J. Collect. Czech. Chem. Commun. 53:1988;1995.
11. CRC Handbook of Chemistry and Physics, 81st ed., CRC Press, 2000-2001.
12. Malysheva L., Klymenko Y., Onipko A., Valiokas R., Liedberg B. Chem. Phys. Lett. 370:2003;451.
13. Takahashi Y., Takadoro H. Macromolecules. 6:1973;672.
14. Takahashi Y., Sumita I., Takadoro H. J. Polym. Sci., Polym. Phys. Ed. 11:1973;2113.
15. de Jonge J.J., van Zoon A., de Leeuw S.W. Solid State Ionics. 147:2002;349.
16. Anderson W.P., Behm P., Glennon T.M., Zerner M.C. J. Phys. Chem. A. 101:1997;1920.
17. Haverkort J.E.M., Baas F., Beenakker J.J.M. Chem. Phys. 79:1983;105. and references therein.
18. Brandrup J., Immergut E.H., Grulke E.A. Polymer Handbook. fourth ed. 1999;Wiley.