Simulation and QENS Studies of Molecular Dynamics in Aqueous Solutions of 1,2-Dimethoxyethane

Journal of Physical Chemistry B

Volumn 104, Issue 21, 2000, Pages 5151-5154

  Bedrov, Dmitry ^a   Borodin, Oleg ^a   Smith, Grant D ^a   Trouw, Frans ^b   Mayne, Charles ^c  

^a University of Utah   (United States)

^b LOS ALAMOS NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF UTAH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001291534     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp994167u     Document Type: Article

References (18)

1. Bedrov, D.; Smith, G. D. J. Phys. Chem. B. 1999, 103, 3791.
2. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. J. Chem. Phys. 1983, 79, 926.
3. Berendsen, H. J.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. in: Intermolecular Forces; Reidel: Dordrecht, The Netherlands, 1981.
4. Berendsen, H. J.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
5. Matsuoka, O.; Clementi, E.; Yoshimine, M. J. Chem. Phys. 1976, 64, 1351.
6. Watanabe, K.; Klein, M. L. Chem. Phys. 1989, 131, 157.
7. Bradley, K. F.; Chen, S.-H.; Brun T. O.; Kleb, R.; Loomis, W. A.; Newsam, J. M. Nucl. Instr. Meth. 1988, A270, 78.
8. Singwi, K. S.; Sjölander, A. Phys. Rev. 1960, 119, 863.
9. Teixeira J.; Bellissent-Funel, M.-C; Chen, S.-H.; Dianoux, A. J. Phys. Rev A. 1985, 31, 1913.
10. Jaffe, R. L.; Smith, G. D.; Yoon, D. Y. J. Phys. Chem. 1993, 97, 12 752.
11. Bedrov, D.; Pekny, M.; Smith, G. D. J. Phys. Chem. B 1998, 102, 996.
12. Ryckaert, J., Ciccotti, G., Berendsen, H. J. C. J. Comput. Phys. 1977, 23, 327.
13. Allen, M. P.; Tildesley, D. T. Computer Simulation of Liquids, Oxford: New York, 1987.
14. The systematic investigation of the influence of a cutoff in neutron energy gain revealed that a cutoff of 1.5 meV does not influence the results of Fourier transformation at low momentum transfers and is still adequate for the highest momentum transfer.
15. Lie, G. C.; Clementi, E. Phys. Rev. A 1986, 33, 2679.
16. Bedrov, D.; Borodin, O.; Smith, G. D. J. Phys. Chem. B 1998, 102, 9565.
17. van der Spoel, D.; van Maaren, P. J.; Berendsen H. J. C. J. Chem. Phys 1998, 108, 10 220.
18. Das. B.; Roy, M. N.; Hazra, D. K. Indian J. Chem. Technol. 1994, 1, 93.