Ellipsoidal potential parameterization for bisphenol-A polycarbonate

Macromolecular Theory and Simulations

Volumn 5, Issue 6, 1996, Pages 1065-1074

  Zimmer, Klaus M ^a,b   Linke, Andreas ^a,b   Heermann, Dieter W ^a,b   Batoulis, Jannis ^c   Bürger, Thorsten ^c  

^a INSTITUT FÜR THEORETISCHE PHYSIK   (Germany)

^b UNIVERSITY OF HEIDELBERG   (Germany)

^c BAYER AG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030500355     PISSN: 10221344     EISSN: None     Source Type: Journal    
DOI: 10.1002/mats.1996.040050604     Document Type: Article

References (10)

1. For two recent reviews see: K. Binder, in "Molecular Level Calculation of the Structure and Properties of Non-Crystalline Polymers", J. Bicerano, Ed. Dekker 1991; D. N. Theodorou, U. W. Suter, Macromolecules 18, 1467 (1985)
2. For two recent reviews see: K. Binder, in "Molecular Level Calculation of the Structure and Properties of Non-Crystalline Polymers", J. Bicerano, Ed. Dekker 1991; D. N. Theodorou, U. W. Suter, Macromolecules 18, 1467 (1985)
3. H. Sun, S. J. Mumby, J. R. Maple, A. T. Hagler, J. Phys. Chem. 99, 5873 (1995)
4. J. Baschnagel, K. Binder, W. Paul, M. Laso, U. W. Suter, J. Batoulis, W. Jilge, T. Bürger, J. Chem. Phys. 95, 6014 (1991)
5. K. M. Zimmer, D. W. Heermann, J. Comput.-Aided Mater. Des. 2, 1 (1995)
6. K. M. Zimmer, A. Linke, D. W. Heermann, to be published
7. D. Rigby, R. J. Roe, J. Chem. Phys. 87, 7285 (1987)
8. E. Macho, A. Allegria, J. Colmenero, Polym. Eng. Sci. 27, 810 (1987)
9. A. Milchev, K. Binder, Macromol. Theory Simul. 3, 915 (1994)
10. http://wwwcp.tphys.uni-heidelberg.de/mxpl/