An ab initio study of vibrational corrections to the electrical properties of the second-row hydrides

Molecular Physics

Volumn 90, Issue 2, 1997, Pages 251-264

  Russell, Anthony J ^a   Spackman, Mark A ^a  

^a UNIVERSITY OF NEW ENGLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001221550     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/002689797172732     Document Type: Article

References (76)

1. Russell, A. J., and Spackman, M. A., 1995. Molec. Phys., 84:1239
2. Russell, A. J., and Spackman, M. A., 1996. Molec. Phys., 88:1109
3. Bishop, D. M., and Cybulski, S. M., 1994. J. chem. Phys., 101:2180
4. Wong, A. T., Bacskay, G. B., Hush, N. S., and Bogaard, M. P., 1991. Molec. Phys., 74:1037
5. Martí, J., Andres, J. L., Bertrán, J., and Duran, M., 1993. Molec. Phys., 80:625
6. Handy, N. C., Pople, J. A., Head-Gordon, M., Raghavachari, K., and Trucks, G. W., 1989. Chem. Phys. Lett., 164:185
7. Fowler, P. W., 1981. Molec. Phys., 43:591
8. Fowler, P. W., 1984. Molec. Phys., 51:1423
9. Hodgkinson, D. P., Heenan, R. K., Hoy, A. R., and Robiette, A. G., 1983. Molec. Phys., 48:193
10. Amos, R. D., Alberts, I. L., Andrews, J. S., Colwell, S. M., Handy, N. C., Jayatilaka, D., Knowles, P. J., Kobayashi, R., Noga, N., Laidig, K. E., Maslen, P. E., Murray, C. W., Rice, J. E., Sanz, J. E., Simandiras, E. D., Stone, A. J., and Su, M.-D., 1994. CADPAC:The Cambridge Analytic Derivatives Package Issue 5.2
11. Cyvin, S. J., Brunvoll, J., Cyvin, B. N., Elvebredd, L., and Hagen, G., 1968. Molec. Phys., 14:43
12. Russell, A. J., 1995. Anharmonic Property Surface Package, ANHARPS 2.0
13. Hoy, A. R., Mills, I. M., and Strey, G., 1972. Molec. Phys., 24:1265
14. Fowler, P. W., and Raynes, W. T., 1981. Molec. Phys., 43:65
15. Maslen, P. E., Handy, N. C., Amos, R. D., and Jayatilaka, D., 1992. J. chem. Phys., 97:4233
16. Schafer, A., Horn, H., and Ahlrichs, R., 1992. J. chem. Phys., 97:2571
17. Schafer, A., Huber, C., and Ahlrichs, R., 1994. J. chem. Phys., 100:5829
18. Dunning, T. H., 1989. J. chem. Phys., 90:1007
19. Woon, D. E., and Dunning, T. H., 1994. J. chem. Phys., 98:1358
20. Sadlej, A. J., 1988. Collect. Czech, chem. Commun., 53:1995
21. Sadlej, A. J., 1991. Theor. chim. Ada, 79:123
22. Ohno, K., Matsuura, H., Endo, Y., and Hirota, E., 1986. J. molec. Spectrosc, 118:1
23. Kijima, K., and Tanaka, T., 1981. J. Molec. Spectrosc, 89:62
24. Edwards, T. H., Moncur, N. K., and Snyder, L. E., 1967. J. chem. Phys., 46:2139
25. Huber, K. P., and Herzberg, G., 1979. Constants of Diatomic Molecules, New York:Van Nostrand-Reinhold.
26. Maroulis, G., and Thakkar, A. J., 1990. J. chem. Phys., 93:4164
27. Maroulis, G., 1991. Molec. Phys., 74:131
28. Maroulis, G., 1991. J. Phys. B, 24:LI 17
29. Hammond, B. L., and Rice, J. E., 1992. J. chem. Phys., 97:1138
30. Dougherty, J., and Spackman, M. A., 1994. Molec. Phys., 82:193
31. Spackman, M. A., 1989. J. phys. Chem., 93:7594
32. Ball, D. F., and Mckean, D. C., 1962. Spectrochim. Ada, 18:1019
33. Bishop, D. M., and Cheung, L. M., 1982. J. Phys. Chem. Ref. Data, 11:119
34. Levin, I. W., and King, W. T., 1962. J. chem. Phys., 37:1375
35. Cadot, J., 1992. J. molec. Spectrosc, 154:383
36. Tarrago, G., Lacome, N., Levy, A., Guelachvili, G., Bezard, B., and Drossart, P., 1992. J. molec. Spectrosc, 154:30
37. Lechuga-Fossat, L., Flaud, J.-M., and Camy-Peyret, C., 1984. Can. J. Phys., 62:1889
38. Emerson, M. T., and Eggers, D. F., 1962. J. Chem. Phys., 37:251
39. Pugh, L. A., and Rao, K. N., 1976. Molecular Spectroscopy:Modern Research, Edited by:Rao, K. N., 165New York:Academic Press.
40. Atwood, M. R., Vu, H., and Vodar, B., 1972. J. Phys., Paris, 33:495
41. Bishop, D. M., and Kirtman, B., 1991. J. chem. Phys., 95:2646
42. Bishop, D. M., and Kirtman, B., 1992. J. chem. Phys., 97:5255
43. Bishop, D. M., 1990. Rev. mod. Phys., 62:343
44. Thomas, J. R., Deleeuw, B. J., Vacek, G., Crawford, T. D., Yamaguchi, Y., and Schaefer, H. F., 1993. J. chem. Phys., 99:403
45. Davies, P. B., Neumann, R. M., Wofsy, S. C., and Klemperer, W., 1971. J. chem. Phys., 55:3564
46. Huiszoon, C., and Dymanus, A., 1965. Physica, 31:1049
47. Kaiser, E. W., 1970. J. chem. Phys., 53:1686
48. De Leeuw, F. H., and Dymanus, A., 1973. J. molec. Spectrosc, 48:427
49. Duijneveldt, F. B., 1971. IBM Research Report. No. RJ945
50. Tanaka, K., Ito, H., Harada, K., and Tanaka, T., 1984. J. chem. Phys., 80:5893
51. Muenter, J. S., 1968. J. chem. Phys., 48:4544
52. Gordy, W. L., and Cook, R. L., 1984. Microwave Molecular Spectra, New York:Wiley.
53. Marshall, S. A., and Weber, J., 1957. Phys. Rev., 105:1502
54. Urban, M., Cernusak, I., Kello, V., and Noga, J., 1987. Methods in Computational Chemistry, Edited by:Wilson, S., 117New York:Plenum.
55. Kobayashi, R., Koch, H., Jorgensen, P., and Lee, T. J., 1993. Chem. Phys. Lett., 211:94
56. Salter, E. A., Sekino, H., and Bartlett, R. J., 1987. J. chem. Phys., 87:502
57. Feynman, R. P., 1939. Phys. Rev., 56:340
58. Cooper, G., Burton, G. R., Chan, W. F., and Brion, C. E., 1995. Chem. Phys., 196:293
59. Watson, H. E., and Ramaswamy, K. L., 1936. Proc. R. Soc.A, 156:144
60. Watson, H. E., 1927. Proc. R. Soc. A, 117:43
61. Cuthbertson, C., and Cuthbertson, M., 1909. Proc. R. Soc., A, 83:171
62. Frivold, O. E., Hassel, O., and Hetland, E., 1938. Phys. Z., 39:224
63. Pazur, R. J., Kumar, A., Thuraisingham, R. A., and MEATH, W. J., 1988. Can. J. Chem., 66:615
64. Bogaard, M. P., Buckingham, A. D., and Ritchie, G. L. D., 1982. Chem. Phys., Lett., 90:183
65. Monan, M., Bribes, J. L., and Gaufres, R., 1982. J. molec. Struct., 79:83
66. Cuthbertson, C., and Cuthbertson, M., 1913. Phil. Trans. R. Soc.A, 213:171
67. Kumar, A., and Meath, W. J., 1985. Can. J. Chem., 63:1616
68. Bridge, N. J., and Buckingham, A. D., 1966. Proc. R. Soc., A, 295:334
69. Spackman, M. A., J. chem. Phys., 941288
70. Larsen, T., 1938. Z. Phys., 111:391
71. Schrotter, H. W., and Klockner, H. W., 1979. Top. Curr. Phys., 2:123
72. Bogaard, M. P., Buckingham, A. D., Pierens, R. K., and White, A. H., 1978. J. chem. Soc., Faraday Trans, I, 74:3008
73. Frivold, O. E., Hassel, O., and Rustad, S., 1937. Phys. Z., 38:191
74. Johnson, D. W., and Ramsey, N. D., 1977. J. chem. Phys., 67:941
75. Wilson, E. B., Decius, J. C., and Cross, P. C., 1955. Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra, New York:Dover Publications.
76. Fowler, P. W., 1983. Molec. Phys., 48:153