Molecular dynamics simulation for DMF aqueous solution

Acta Chimica Sinica

Volumn 61, Issue 4, 2003, Pages 526-530

  Zhu, Long Hua ^a   Wang, Lan Zhou ^a   Li, Hao Ran ^b   Lei, Yi ^b   Pan, Hai Hua ^b   Han, Shi Jun ^b  

^a CHINA JILIANG UNIVERSITY   (China)

^b ZHEJIANG UNIVERSITY   (China)

Author keywords

1H NMR; DMF aqueous solution; Molecular dynamics simulation; OPLSAA

Indexed keywords

EID: 0345299844     PISSN: 05677351     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (13)

1. Davis, M. I. Thermochim. Acta. 1987, 120, 299.
2. De Visser, C.; Peron, G.; Desnoyers, J. E. J. Chem. Eng. Data 1977, 22, 74.
3. Zielkiewicz, J. J. Chem. Thermodyn. 1995, 27, 225.
4. Bougard, J.; Jarot, R. J. Chem. Thermodyn. 1975, 7, 1185.
5. Miyai, K.; Nakamura, M.; Tamura, K. J. Solution Chem. 1997, 26, 973.
6. Maxwell, D. S.; Jorgensen, W. L. J. Camput. Chem. 1995, 16, 984.
7. McDonald, N. A.; Jorgensen, W. L. J. Phys. Chem. B 1998, 102, 8049.
8. Jorgensen, W. L.; McDonald, N. A. J. Mol. Struct. 1998, 424, 145.
9. Nose, S. Mol. Phys. 1984, 52, 255.
10. Hoover, W. G. Phys. Rev. A 1985, 31, 1695.
11. Beeman, D. J. Comput. Phys. 1976, 20, 130.
12. Allen, M. P. In Computer Simulation of Liquids, Ed.: Tildesley, D. J., Clarendon, Oxford, 1987, pp. 230-250.
13. Gutowsky, H. A.; Saika, M. P. J. Chem. Phys. 1953, 21, 1688.