A charged ring model for classical OH-(aq) simulations

Chemical Physics Letters

Volumn 442, Issue 1-3, 2007, Pages 128-133

  Ufimtsev, Ivan S ^a   Kalinichev, Andrey G ^a   Martinez, Todd J ^a   Kirkpatrick, R James ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER CONCENTRATION; COMPUTER SIMULATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; NEUTRON DIFFRACTION; OXYGEN;

CHARGED RING MODEL; CLASSICAL MOLECULAR SIMULATIONS; POINT CHARGE MODELS;

NEGATIVE IONS;

EID: 34250635116     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.05.042     Document Type: Article

References (24)

1. McLain S.E., Imberti S., Soper A.K., Botti A., Bruni F., and Ricci M.A. Phys. Rev. B 74 (2006) 094201
2. Tuckerman M.E., Marx D., and Parrinello M. Nature 417 (2002) 925
3. Tuckerman M.E., Chandra A., and Marx D. Acc. Chem. Res. 39 (2006) 151
4. Chen B., Ivanov I., Park J.M., Parrinello M., and Klein M.L. J. Phys. Chem. B 106 (2002) 12006
5. Andaloro G., Palazzo M.A., Migliore M., and Fornili S.L. Chem. Phys. Lett. 149 (1988) 201
6. Balbuena P.B., Johnston K.P., and Rossky P.J. J. Phys. Chem. 100 (1996) 2706
7. Campo M.G., and Grigera J.R. Mol. Sim. 30 (2004) 537
8. Warshel A., and Weiss R.M. J. Am. Chem. Soc. 102 (1980) 6218
9. Vuilleumier R., and Borgis D. Chem. Phys. Lett. 284 (1998) 71
10. Schmitt U.W., and Voth G.A. J. Phys. Chem. B 102 (1998) 5547
11. Schmitt U.W., and Voth G.A. J. Chem. Phys. 111 (1999) 9361
12. Day T.J.F., Soudackov A.V., Cuma M., Schmitt U.W., and Voth G.A. J. Chem. Phys. 117 (2002) 5839
13. Dang L.X., and Pettitt B.M. J. Phys. Chem. 91 (1987) 3349
14. Mahoney M.W., and Jorgensen W.L. J. Chem. Phys. 112 (2000) 8910
15. Schmidt M.W., et al. J. Comput. Chem. 14 (1993) 1347
16. Lee H.M., Tarkeshwar P., and Kim K.S. J. Chem. Phys. 121 (2004) 4657
17. In: Lide D.R. (Ed). CRC Handbook of Chemistry and Physics. eightyseventh edn. (2006), CRC Press, Boca Raton, FL pp. 8-71
18. Zhu Z.W., and Tuckerman M.E. J. Phys. Chem. B 106 (2002) 8009
19. Ohtaki H., and Radnai T. Chem. Rev. 93 (1993) 1157
20. Bondarenko G.V., Gorbaty Yu.E., Okhulkov A.V., and Kalinichev A.G. J. Phys. Chem. A 110 (2006) 4042
21. Asthagiri D., Pratt L.R., Kress J.D., and Gomez M.A. Proc. Natl. Acad. Sci. USA 101 (2004) 7229
22. In: Lide D.R. (Ed). CRC Handbook of Chemistry and Physics. eightyseventh edn. (2006), CRC Press, Boca Raton, FL pp. 5-77
23. Dang L.X. J. Am. Chem. Soc. 117 (1995) 6954
24. Humphrey W., Dalke A., and Schulten K. J. Mol. Graph. 14 (1996) 33