Molecular dynamic simulation of the structure of solvation shells of Na+ and K+ in N,N-dimethylformamide at various temperatures

Journal of Structural Chemistry

Volumn 43, Issue 2, 2002, Pages 284-292

  Pukhovskii, Yu P ^a   Sakharov, D V ^a   Safonova, L P ^a  

^a RUSSIAN ACADEMY OF SCIENCES   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0036347133     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1019652508436     Document Type: Article

References (34)

1. Y. P. Puhovski and B. M. Rode, Chem. Phys., 190, 61-82 (1995).
2. D. V. Sakharov, "Ion dynamics and structure of electrolytic solutions in N,N-dimethylformamide at various temperatures," Abstract of Chemical Sciences Candidate's Dissertation, Ivanovo (2000).
3. Y. P. Puhovski and B. M. Rode, J. Phys. Chem., 99, 1566-1576 (1995).
4. Y. P. Puhovski and B. M. Rode, J. Chem. Phys., 102, 2920-2927 (1995).
5. Y. P. Puhovski and B. M. Rode, ibid., 107, 6908-6917 (1997).
6. Y. P. Puhovski and B. M. Rode, Chem. Phys., 222, 43-57 (1997).
7. L. P. Safonova, A. M. Kolker, and A. N. Kinchin, in: Advances and Problems in Solvation Theory: Structural Thermodynamic Aspects [in Russian], V. K. Abrosimov, Al. G. Krestov, G. A. Alper, et al. (eds.), Nauka, Moscow (1998), pp. 63-105.
8. I. S. Perelygin, L. L. Kimtis, V. V. Chizhik, et al., Experimental Methods in Solution Chemistry: Spectroscopy and Colorimetry [in Russian], G. A. Krestov (ed.), Nauka, Moscow (1995), p. 380.
9. M. P. Allen and D. J. Tildesley, Computer Simulation in Chemical Physics, Kluwer, Dordrecht (1992).
10. G. Ciccoti and W. G. Hoover, Molecular Dynamics Simulation in Statistical Mechanical Systems, North-Holland, Amsterdam (1985).
11. Y. M. Kessler, Y. P. Puhovski, M. G. Kiselev, and I. I. Vaisman, Chemistry of Nonaqueous Solutions: Current Progress, G. Mamontov and A. I. Popov (eds.), VCH, New York (1994), pp. 307-373.
12. M. Chalaris and J. A. Samios, J. Mol. Liq., 78, 201-215 (1998).
13. W. L. Jorgensen and C. J. Swenson, J. Am. Chem. Soc., 107, 567-578 (1985).
14. J. W. Essex and W. L. Jorgensen, J. Phys. Chem., 99, 17956-17962 (1995).
15. J. Gao, J. J. Pavelites, and D. Habibollazadeh, ibid., 100, 2689-2697 (1996).
16. Y. Marcus, Chem. Rev., 88, 1475-1498 (1988).
17. E. I. Khomyakov, V. P. Avdeev, N. I. Nikuashina, and E. N. Popova, "Investigation of bulk properties and dielectric constant of methylethylketone-dimethylformamide," [in Russian], ONIITEKhIM dep. No. 417-P84, May 10 (1984), p. 21.
18. H. J. Berendsen, J. P. M. Postma, W. F. Van Gunsteren, et al., J. Phys. Chem., 85, 3684-3690 (1984).
19. R. W. Hockney, Meth. Comp. Phys., 9, 136-147 (1970).
20. G. Ciccotti, M. Ferrario, and J.-P. Ryckaert, Mol. Phys., 47, 1253-1264 (1982).
21. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford (1987).
22. J. A. Barker and R. O. Watts, Mol. Phys., 26, 789-795 (1973).
23. C. K. Finter and H. G. Hertz, J. Chim. Phys. Chim. Biol., 85, 589-596 (1988).
24. H. G. Hertz, ibid., 82, 557-563 (1988).
25. A. Sacco, M. C. Picinni, and M. Holz, J. Sol. Chem., 21, 109-120 (1992).
26. R. J. deSando and G. H. Brown, J. Phys. Chem., 72, 1088-1095 (1968).
27. T. Uno, K. Mashida, and I. Hamanaka, Bull. Chem. Soc. Jpn., 34, 1448-1458 (1961).
28. D. Balasubramanian, A. Goel, and C. N. R. Rao, Chem. Phys. Lett., 17, 482-493 (1972).
29. D. Balasubramanian and R. Snaikh, Biopolymers, 12, 1639-1649 (1973).
30. C. K. Finter and H. G. Hertz, Z. Phys. Chem., N.F., 148, 75-96 (1986).
31. K. Ozutsumi, M. Kiode, H. Suzuki, and S. Ishiguro, J. Phys. Chem., 97, 500-502 (1993).
32. N. A. Matwiyoff and W. G. Movius, J. Am. Chem. Soc., 2, 5077-5083 (1967).
33. W. G. Movius and N. A. Matwiyoff, J. Phys. Chem., 72, 3083-3095 (1968).
34. H. Emons, M. Siedler, B. Thomas, and A. Porzel, Z. Anorg. Allg. Chem., 558, 231-239 (1998).