Computer simulation and diffraction studies of the structure of liquid benzene

Journal of Structural Chemistry

Volumn 49, Issue 3, 2008, Pages 524-547

  Zorkii, P M ^a   Lanshina, L V ^a   Bogdan, T V ^a  

^a MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

Liquid benzene; Modeling; Molecular dynamics; Neutron diffraction; Structure; X ray diffraction

Indexed keywords

EID: 52149105198     PISSN: 00224766     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10947-008-0072-x     Document Type: Article

References (78)

1. S. Katzoff 1934 J. Chem. Phys. 2 841 851
2. E. P. Wigner, Symmetries and Reflections, Indiana University Press, Bloomington, Indiana (1967).
3. É. E. E. Weinstein E. A. Porai-Koshits 1943 Usp. Khim. 12 409 437
4. W. C. Pierce 1937 J. Chem. Phys. 5 717 720
5. A. H. Narten 1968 J. Chem. Phys. 48 1630 1634
6. E. G. Cox D. W. J. Cruickhank J. A. S. Smith 1958 Proc. R. Soc., A 247 1 20
7. G. E. Bacon N. A. Curry S. A. Wilson 1964 Proc. R. Soc., A 279 98 110
8. G. Roth 1963 Zeits. Naturf. 19a 516 519
9. P. M. Zorkii O. M. Zorkaya L. V. Lanshina 1995 Zh. Strukt. Khim. 36 775 789
10. P. M. Zorky O. N. Zorkaya 1997 Adv. Molec. Struct. Res. 3 147 188
11. D. Chandler 1976 Molec. Phys. 31 1213 1217
12. H. N. V. Temperley, J. S. Rowlinson, and G. S. Rushbrooke (eds.), Physics of Simple Liquids, North-Holland, Amsterdam (1968).
13. I. K. Percus G. I. Yevick 1958 Phys. Rev. 110 1 13
14. L. I. Lowden D. J. Chandler 1974 J. Chem. Phys. 61 12 5228 5241
15. Yu. V. Zefirov P. M. Zorkii 1974 Zh. Strukt. Khim. 15 1 118 122
16. A. N. Narten 1977 J. Chem. Phys. 67 5 2102 2108
17. D. J. Evans R. O. Watts 1976 Molec. Phys. 32 1 93 100
18. E. Bartsch H. Bertagnolli G. Schutz H. Chieux 1985 Ber. Bunsenges. Phys. Chem. 89 147 156
19. O. Steinhauser 1982 Chem. Phys. 73 155 167
20. M. Classens M. Ferrario J.-P. Ryckaert 1983 Molec. Phys. 50 1 217 227
21. F. S. Adan A. Banon J. Santamaria 1984 Chem. Phys. 86 433 444
22. P. Linse 1984 J. Am. Chem. Soc. 106 5425 5430
23. P. Linse S. Engstron B. Jonsson 1985 Chem. Phys. Lett. 115 1 95 100
24. J. Anderson J. J. Ullo S. J. Yip 1987 Chem. Phys. 86 7 4078 4089
25. S. Gupta W. B. Sediawan E. Mc. Laughlin 1988 Molec. Phys. 65 4 961 975
26. S. Yashonath S. L. Price I. R. Mc. Donald 1988 Molec. Phys. 64 361 376
27. A. Baranyai D. J. Evans 1990 Molec. Phys. 70 1 53 63
28. G. D. Smith R. L. Jaffe 1996 J. Phys. Chem. 100 9624 9630
29. M. I. Cabaco Y. Danten M. Besnard 1997 J. Phys. Chem. B 101 6977 6987
30. T. Tassaing M. I. Cabaco Y. Danten M. Besnard 2000 J. Chem. Phys. 113 3757 3765
31. T. Nakagawa S. Yamanaka H. Urakawa 1999 J. Mol. Struc. (Theochem). 458 275 283
32. P. M. Zorkii E. V. Sokolov G. G. Malenkov L. V. Lanshina 2000 Zh. Fiz. Khim. 74 195 199
33. R. Chelli G. Cardini P. Procacci 2000 J. Chem. Phys. 113 6851 6863
34. R. Chelli G. Cardini M. Ricci 2001 Phys. Chem. Chem. Phys. 3 2803 2810
35. J. H. Kim S. H. Lee 2002 Bull. Korean Chem. Soc. 23 3 441 446
36. S. Lorenz T. R. Walsh A. P. Sutton 2003 J. Chem. Phys. 119 2903 2907
37. T. V. Bogdan L. V. Lanshina E. V. Isaeva 2005 Zh. Fiz. Khim. 79 8 1442 1447
38. D. J. Evans R. O. Watts 1976 Molec. Phys. 31 83 96
39. G. Karlstrom P. Linse A. Wallqvist B. Jonsson 1983 J. Am. Chem. Soc. 105 3777 3782
40. B. M. Powell G. Dolling H. Bonadeo 1978 J. Chem. Phys. 69 2428 2433
41. P. Pulay G. Fogarasi J. E. Boggs 1981 J. Chem. Phys. 74 3999 4014
42. J. G. Gay B. J. Berne 1981 J. Chem. Phys. 74 3316 3319
43. S. L. Price A. J. Stone 1987 J. Chem. Phys. 86 2859 2868
44. D. E. Williams S. R. Cox 1984 Acta Crystallogr. B 40 404 417
45. D. J. Evans R. O. Watts 1976 Molec. Phys. 32 995 1015
46. C. Hoheisel 1988 J. Chem. Phys. 89 2457 2461
47. D. E. Williams T. L. Starr 1977 Comput. Chem. 1 173 177
48. D. E. Williams D. J. Houpt 1986 Acta Crystallogr. B 42 286 295
49. A. Maliniak A. Laaksonen 1987 Mol. Phys. 62 489 496
50. P. C. Painter R. G. Snyder 1980 Spectrochim. Acta A 36 337 339
51. V. B. Zhurkin V. I. Poltev V. I. Florenskii 1980 Molek. Biologiya 14 1116 1130
52. B. R. Brooks R. E. Bruccoleri B. D. Olafson 1983 J. Comput. Chem. 4 187 217
53. S. Califano R. Righini S. H. Walmsley 1979 Chem. Phys. Lett. 64 491 494
54. W. L. Jorgensen D. L. Severance 1990 J. Am. Chem. Soc. 112 4768 4774
55. R. Berardi C. Fava C. Zannoni 1995 Chem. Phys. Lett. 236 462 468
56. W. D. Cornell P. Cieplak C. I. Bayly 1995 J. Am. Chem. Soc. 117 5179 5197
57. Chemical Encyclopedia [in Russian], Vol. 1, Sovetskaya Entsiklopediya, Moscow (1988).
58. A. V. Dzyabchenko 1984 J. Struct. Chem. 25 3 416 420
59. A. V. Dzyabchenko, ibid., No. 4, 57-62.
60. T. V. Bogdan 2006 Rus. J. Phys. Chem. 80 Suppl 14 20
61. G. A. Martynov 2002 J. Struct. Chem. 43 3 507 514
62. E. Bartsch H. Bertagnolli P. Chieux 1986 Ber. Bunsenges. Phys. Chem. 90 1 34 46
63. R. Felici F. Cilloco P. Bosi 1990 Mol. Phys. 70 455 463
64. M. Misawa T. Fukunaga 1990 J. Chem. Soc. 90 5 3495 3502
65. N. V. Mokhov and Ya. M. Labkovskii, Critical Phenomena and Fluctuations in Solutions [in Russian], Izd. Akad. Nauk SSSR, Moscow (1960), pp. 81-88.
66. M. I. Cabaco Y. Danten 1998 J. Phys. Chem. B 102 10712 10723
67. C. A. Sacchi 1972 Opt. Communs. 6 4 418 420
68. J. S. Friedman C. Y. She 1993 J. Chem. Phys. 99 4960 4969
69. J. S. Friedman M. C. Lee C. Y. She 1991 Chem. Phys. Lett. 186 161 169
70. B. Ratalska-Gadomska W. Gadomski 1998 J. Chem. Phys. 108 8489 8498
71. B. J. Loughnane A. Scodini R. A. Farrer 1999 J. Chem. Phys. 111 2686 2694
72. M. Ricci P. Bartolini R. Chelli 2001 Phys. Chem. Chem. Phys. 3 2795 2802
73. P. Vohringer N. F. Scherer 1995 J. Phys. Chem. 99 2684 2695
74. Ya. M. Labkovskii and S. G. Krivenkov, Structure of Liquids and Phase Transitions [in Russian], issue 3, Izd. Akad. Nauk USSR, Dnepropetrovsk (1975), pp. 35-39.
75. Ya. M. Labkovskii, Structure of Liquids and Phase Transitions [in Russian], issue 2, Izd. Akad. Nauk USSR, Dnepropetrovsk (1973), pp. 47-55.
76. Ya. M. Labkovskii, N. I. Gulivets, and B. M. Grinberg, Structure of Liquids and Phase Transitions [in Russian], issue 1, Izd. Akad. Nauk USSR, Dnepropetrovsk (1972), pp. 44-48.
77. P. M. Zorkii L. V. Lanshina E. Yu. Korableva 1994 J. Struct. Chem. 35 2 256 259
78. P. M. Zorkii, ibid., No. 3, 364-366.