Transport properties of acetone aqueous solutions: Molecular dynamics simulation and NMR studies

Journal of Molecular Structure: THEOCHEM

Volumn 686, Issue 1-3, 2004, Pages 109-113

  Liang, Wanchun ^a   Li, Haoran ^a   Lei, Yi ^a   Han, Shijun ^a  

^a ZHEJIANG UNIVERSITY   (China)

Author keywords

All atom MD simulations; Interaction; NMR; Structure; Transport property

Indexed keywords

ACETONE;

AQUEOUS SOLUTION; ARTICLE; COMPARATIVE STUDY; CONCENTRATION RESPONSE; EXPERIMENTAL DESIGN; HYDROGEN BOND; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; SIMULATION;

EID: 7044253272     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.08.024     Document Type: Article

References (31)

1. S. Singh, P.J. Krueger, and J. Raman Spectroscopy 13 1982 78
2. E. Matteoli, and L. Lepori J. Chem. Phys. 80 1984 2856
3. Y.G. Bushuev, and S.V. Davletbaeva Russ. Chem. Bull. 48 1999 25
4. C.N. Draghi, and J.B. Avalos Mol. Phys. 14 2003 2303
5. R.A. Vergenz, I. Yazji, C. Whittington, J. Daw, and T. Tran J. Am. Chem. Soc. 125 2003 12318
6. E.J. Corey, Thomas, and W. Lee Chem. Commun. 15 2001 1321
7. B. Wang, J.F. Hinton, and P. Pulay J. Phys. Chem. A. 107 2003 4683
8. E.S. Meadows, L. Dewall, L.J. Barbour, F.R. Fronczek, M. Kim, and G.W. Gokel J. Am. Chem. Soc. 122 2000 3325
9. X.K. Zhang, E.G. Lewars, R.E. March, and J.M. Parnis J. Phys. Chem. 97 1993 4320
10. K. Mizuno, T. Ochi, and Y. Shindo J. Chem. Phys. 109 1998 9502
11. H.C. Chang, J.C. Jiang, S.H. Lin, N.H. Weng, and M.C. Chao J. Chem. Phys. 115 2001 3215
12. M. Ferrario, M. Haughney, I.R. Mcdonald, and M.L. Klein J. Chem. Phys. 93 1990 5156
13. K. Kamogawa, and T. Kitagawa J. Phys. Chem. 90 1986 1077
14. A. Vishnyakov, A.P. Lyubartsev, and A. Laaksonen J. Phys. Chem. A. 105 2001 1702
15. M.W. Mahoney, and M.L. Jorgensen J. Chem. Phys. 112 2000 8910
16. W.L. Jorgensen, D. Maxwell, and J.T. Rives J. Am. Chem. Soc. 118 1996 11225
17. M.J. Dudek, K. Ramnarayan, and J.W. Ponder J. Comput. Chem. 19 1998 548 http://dasher.wust1.edu/tinker
18. H.C. Andersen J. Comput. Phys. 52 1983 24
19. A. Luzar, and D. Chandler J. Chem. Phys. 98 1993 8160
20. Y. Lei, H.R. Li, and S.J. Han Chem. Phys. Lett. 380 2003 542
21. V. Dohnal, and M. Tkadlecova J. Phys. Chem. B. 106 2002 12307
22. M. Tkadlecova, V. Dohnal, and M. Costas Phys. Chem. Chem. Phys. 1 1999 1479
23. G.R. Desiraju Acc. Chem. Res. 29 1996 441
24. W.L. Jorgensen, and J.D. Madura Mol. Phys. 56 1985 1381
25. L.C.G. Freitas, J.M.M. Cordeiro, and F.L.L. Garbujo J. Mol. Liq. 79 1999 1
26. Y. Lei, H.R. Li, H.H. Pan, and S.J. Han J. Phys. Chem. A. 107 2003 1574
27. B. Kirchner, and M. Reiher J. Am. Chem. Soc. 24 2002 6206
28. D.R. Lide CRC Handbook of Chemistry and Physics 84th ed. 2003-2004 CRC Press Boca Raton http://www.hbcpnetbase.com
29. K. Noda, M. Ohashi, and K. Ishida J. Chem. Eng. Data. 27 1982 326
30. C.C. Li Am. Inst. Chem. Eng. J. 22 1976 927
31. E.V. Goldammer, and H.G. Hertz J. Phys. Chem. 74 1970 3734