Dielectric properties of liquid ethanol. A computer simulation study

Journal of Chemical Physics

Volumn 113, Issue 7, 2000, Pages 2814-2822

  Saiz, Leonor ^a   Guàrdia, Elvira ^b   Padró, Joan Àngel ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITAT POLITÈCNICA DE CATALUNYA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DIELECTRIC RELAXATION; ETHANOL; INFRARED SPECTROSCOPY; MATHEMATICAL MODELS; MONTE CARLO METHODS; OPTIMIZATION; PERMITTIVITY;

OPTIMIZED POTENTIALS FOR LIQUID SIMULATIONS (OPLS);

MOLECULAR DYNAMICS;

EID: 0034251108     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1305883     Document Type: Article

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49. J. Casulleras and E. Guàrdia, Mol. Simul. 8, 273 (1992).
50. M. S. Skaf, T. Fonseca, and B. M. Ladanyi, J. Chem. Phys. 98, 8929 (1993).
51. M. S. Skaf and B. M. Ladanyi, J. Chem. Phys. 102, 6542 (1995).
52. J. Barthel, K. Bachhuber, R. Buchner, and H. Hetzenauer, Chem. Phys. Lett. 165, 369 (1990).
53. J. T. Kindt and C. A. Schmuttenmaer, J. Phys. Chem. 100, 10373 (1996).
54. W. L. Jorgensen, J. Phys. Chem. 90, 1276 (1986).
55. M. E. van Leeuwen, Mol. Phys. 87, 87 (1996).
56. J. Gao, D. Habibollazadeh, and L. Shao, J. Phys. Chem. 99, 16460 (1995).
57. L. Saiz, J. A. Padró, and E. Guàrdia, J. Phys. Chem. B 101, 78 (1997).
58. J. A. Padró, L. Saiz, and E. Guàrdia, J. Mol. Struct. 416, 243 (1997).
59. M. A. González, E. Enciso, F. J. Bermejo, and M. Bée, J. Chem. Phys. 110, 8045 (1999).
60. P. Madden and D. Kivelson, Adv. Chem. Phys. 56, 467 (1984).
61. G. Stell, G. N. Patey, and J. S. Høye, Adv. Chem. Phys. 48, 183 (1981).
62. D. M. F. Edwards, P. A. Madden, and I. R. McDonald, Mol. Phys. 51, 1141 (1984).
63. M. Neumann, O. Steinhauser, and G. S. Pawley, Mol. Phys. 52, 97 (1984).
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78. D. Kivelson and H. L. Friedman, J. Phys. Chem. 93, 7026 (1989).
79. M. Neumann, J. Chem. Phys. 82, 5663 (1985).
80. The Debye limit corresponds to high friction and vanishing inertia.
81. R. Buchner and J. Barthel, Annu. Rep. Prog. Chem. Sect. C: Phys. Chem. 91, 71 (1994).
82. L. Saiz, J. A. Padró, and E. Guàrdia, Mol. Phys. 97, 897 (1999).
83. D. A. McQuarrie, Statistical Mechanics (Harper & Row, New York, 1976), Chap. 21.
84. C. F. L. Böttcher and P. Bordewijk, Theory of Dielectric Polarization (Elsevier, Amsterdam, 1978), Vol. 2.
85. B. Guillot, P. Marteau, and J. Obriot, J. Chem. Phys. 93, 6148 (1990).
86. M. Falk and E. Whalley, J. Chem. Phys. 34, 1554 (1961).
87. J. Marti, J. A. Padró, and E. Guàrdia, J. Chem. Phys. 105, 639 (1996).
88. P. A. Madden and R. W. Impey, Chem. Phys. Lett. 123, 502 (1986).
89. G. E. Walrafen, in Water, A Comprehensive Treatise, edited by F. Franks (Plenum, New York, 1972), Chap. 5, Vol. 1.
90. M. A. Ricci, D. Rocca, G. Ruocco, and R. Vallauri, Phys. Rev. A 40, 7226 (1989).
91. H. Resat, F. O. Raineri, and H. L. Friedman, J. Chem. Phys. 97, 2618 (1992).
92. D. Bertolini, A. Tani, and R. Vallauri, Mol. Phys. 73, 69 (1991).