A molecular dynamics study of zirconium phosphate membranes

Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)

Volumn 4705 LNCS, Issue PART 1, 2007, Pages 295-304

  Porrni, Massimiliano ^a,b   Laganà, Antonio ^b  

^a UNIVERSITY OF CRETE   (Greece)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

MOLECULAR DYNAMICS; PROTON TRANSFER;

FORCE FIELD; LAMELLAR SOLIDS; PROTON MOBILITY;

ZIRCONIUM COMPOUNDS;

EID: 38049008464     PISSN: 03029743     EISSN: 16113349     Source Type: Book Series    
DOI: None     Document Type: Conference Paper

References (22)

1. Alberti, G.: In Solid-State Supramolecular Chemistry: Two- and Three- Dimensional Inorganic Networks. In: Alberti, G., Bein, T. (eds.) Comprehensive Supramolecular Chemistry Series, ch. 5, vol. 7, Oxford, Pergamon (1996)
2. Alberti, G., Marmottini, F., Vivani, R., Zappelli, P.J.: Porous Mater., vol. 5, p. 221 (1998)
3. Clearfield, A.: In: Cocke, D.L., Clearfield, A. (eds.) In Design of New Materials, p. 121. Plenum Press, New York (1987)
4. Alberti, G., Casciola, M., Costantino, U., Vivani, R.: R. AdV. Mater., vol. 8, p. 291 (1996)
5. Alberti, G., Boccali, L., Dionigi, C., Vivani, R., Kalchenko, V.l.: Supramol. Chem., vol. 9, p. 99 (1998)
6. Troup, J.M., Clearfield, A.: Inorg. Chem., vol. 16, p. 3311 (1977)
7. Poojary, D.M., Shpeizer, B., Clearfield, A.: J. Chem.Soc.,Dalton Trans. 111 (1995)
8. www.csc.fi/gopenmol/
9. http ://www.cse.clrc.ac.uk/msi/software/DL.POLY/
10. Smith, W.: private communication in occasion of the DL_POLY workshop. Cambridge (May 2006)
11. Gale, J.D.: JCS Faraday Trans., 93, 629 (1997)
12. Gale, J.D., Rohl, A.L.: Mol. Simul., 29, 291 (2003)
13. Rappé, A.K., Goddard III, W.A.: J. Am. Chem.Soc.,95, 3358 (1991)
14. Rappé, A.K., Casewit, C.J., Colwell, K.S., Goddard III, W.A., Skiff, W.M.: J. Am. Chem. Soc., 114, 10024 (1992)
15. Mayo, S.L., Olafson, B.D., Goddard III, W.A.: J. Phys. Chem., 94, 8897 (1990)
16. Alberti, G., Grassi, A., Lombardo, G.M., Pappalardo, G.C., Vivani, R.: Inorg. Chem., 38, 4249 (1999)
17. Amato, M.E., Lipkowitz, K.B., Lombardo, G.M., Pappalardo, G.C.: J. Mol. Struct., 372, 69 (1995)
18. Dinur, U., Hagler, A.T.: In: Lipkowitz, K.B., Boyd, D.B. (eds.) In ReViews in Computational Chemistry, vol. 2, p. 99. VCH Publishers, New York (1991)
19. Marx, D., Tuckerman, M.E., Hutter, J., Parrinello, M.: Nature, 397, 601604 (1999)
20. Eikerling, M., Kornyshev, A.A., Summing, U.: J. Phys. Chem. B, 101, 10807 (1997)
21. Ennari, J.: Ph.D Thesis, University of Helsinki (2000),http://ethesis. helsinki.fi/julkaisut/mat/kemia/vk/ermari, ISBN 951-45-9140-2
22. Chitra, R., Yashonath, S.: J. Phys. Chem. B, 101, 5437 (1997)