Molecular dynamics simulation of poly(methacrylic acid) chains in water

Acta Chimica Slovenica

Volumn 54, Issue 3, 2007, Pages 509-516

  Jerman, Boštjan ^a   Podlipnik, Črtomir ^a   Kogej, Ksenija ^a  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

Conformation; Isotactic; Molecular dynamics; Stereoregular poly(methacrylic acid); Syndiotactic

Indexed keywords

EID: 35548993756     PISSN: 13180207     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (36)

1. A. Katchalsky, "International Symposium on Macromolecules, Leiden, 1970", Butterworths, London, 1971, p. 368.
2. K. Hatada, J. Polym. Sci.: A 1999, 37, 245-260.
3. V. Crescenzi, Adv. Polym. Sci. 1968, 5, 358-386 and references cited therein.
4. E. M. Loebl, J. J. O'Neill, J. Polym. Sci. 1960, 45, 538-540.
5. E. van den Bosch, Q. Keil, G. Filipscei, H. Berghmans, H. Reynaers, Macromolecules 2004, 76, 9673-9675.
6. M. Nagasawa, T. Murase, K. Kondo, J. Phys. Chem. 1965, 69, 4005-4012.
7. K. Kogej, H. Berghmans, H. Reynaers, S. Paoletti, J. Phys. Chem. 2004, 108, 18164-18173.
8. J. C. Leyte, M. Mandel, J. Polym. Sci.: A 1964, 2, 1879-1891.
9. K. Kogej, J. Cerkovnik, H. Bergmans, S. Paoletti, Acta Chim. Slov. 2001, 48, 395-406.
10. B. Jerman, K. Kogej, Acta Chim. Slov. 2006, 53, 264-273.
11. B. Jerman, M. Breznik, K. Kogej, S. Paoletti, J. Phys. Chem. B 2007, in press.
12. Y. Muroga, I. Noda, M. Nagasawa, Macromolecules 1985, 18, 1580-1582.
13. U. M. Apel, R. Hentschke, J. Helfrich, Macromolecules 1995, 18, 1580-1582.
14. H. Nagai, H. Watanabe, A. Nishioka, J. Polym. Sci. 1962, 62, 95.
15. H. Nagai, J. Appl. Polym. Sci. 1963, 7, 1697.
16. J. Pleštil, Yu. M. Ostanevich, V. Yu. Bezzabotonov, D. Hlavata, J. Labsky, Polymer 1986, 27, 839-842.
17. S. M. Towlson, P. V. Wright, Polymer 1986, 27, 409-416.
18. N. Vlachy, J. Dolenc, B. Jerman, K. Kogej, J. Phys. Chem. B 2006, 110, 9061-9071.
19. M. Vacatello, P. J. Flory, Macromolecules 1986, 19, 405-415.
20. P. R. Sundararajan, Macromolecules 1986, 19, 415-421.
21. J. Dolenc, R. Baro, C. Oostenbrink, J. Koller, W. F. van Gunsteren, Biophys. 2006, 91, 1460-1470.
22. U. Stocher, D. Juchli, W. F. van Gunsteren, Mol. Simulat. 2003, 29, 123-138.
23. T. E. Cheatham, P. A. Kollman, Annu. Rev. Phys, Chem. 2000, 51, 435-471.
24. J. Srinivasan, T. E. Cheatham, P. Cieplak, P. A. Kollman, D. A. Case, J. Am. Chem. Soc. 1998, 120, 9401-9409.
25. T. Nishio, A. Minakata, Reports on Progress in Polymer Physics in Japan 1997, 40, 127-130.
26. Maestro, version 7.5, Schrodinger, LLC, New York, NY, 2005.
27. MacroModel, version 9.1, Schrodinger, LLC, New York, NY, 2005
28. G. A. Kaminski, R. A. Freisner, J. Tirado-Rives, W. L. Jorgensen J. Phys. Chem. B 2001, 105, 6474-6480.
29. W. C. Still, A. Tempzyk, R. Hawley, T. J. Hendrickson J. Am. Chem. Soc. 1990, 172, 6127-6129.
30. E. Polack, G. Ribiere, Revue Française Inf. Rech. Oper. Serie Rouge 169,16-R1,35.
31. W. F. van Gunsteren, H. J. C. Berendsen, Mol. Simul. 1988, 1, 173.
32. J.-P. Ryckaert, G. Cicotti, H. J. C. Berendsen, J. Comput. Phys. 1977, 23, 327.
33. H. J. C. Berendsen, J. P. M. Postma, W.F. van Gunsteren, A.D. DiNola, and J. R. Haak J. Chem Phys. 1984, 81, 3684.
34. V. Steinhauer, J. Gasteiger, Obtaining 3D structure from infrared spectra of organic compounds using neural networks, in Software-Entwicklung in der Chemie 11, Gesellshaft Deutcher Chemiker, Frankfurt/Main, 1997.
35. H. Kusanagi, H. Tadokoro, Y. Chatani, Macromolecules - Communications to the Editor 1976, 9, 531-532.
36. M. H. M. Olsson, J. Mavri, A. Warshel, Phil. Trans. Roy. Soc: B 2006, 361, 1417-1432.