Electric field gradient of a water molecule in water. A combined quantum chemical and statistical mechanical treatment

Chemical Physics Letters

Volumn 279, Issue 5-6, 1997, Pages 372-376

  Moriarty, Nigel W ^a   Karlström, Gunnar ^b  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b LUND UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031582967     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)01072-5     Document Type: Article

References (35)

1. [1] D.T. Edmonds, S.D. Goren, A.A.L. White, W.F. Sherman, J. Magn. Reson. 27 (1977) 35.
2. [2] W.F. Kuhs, M.S. Lehmann, J. Phys. Chem. 87 (1983) 4312.
3. [3] S.G.P. Brosnan, D.T. Edmonds, J. Mol. Spectrosc. 58 (1980) 23.
4. [4] Y. Margalit, M. Sphorer, J. Magn. Reson. 43 (1981) 112.
5. [5] R. Bhattacharjee, J.S. Muenter, M.D. Marshall, J. Mol. Spectrosc. 145 (1991) 302.
6. [6] J. Verhoeven, A. Dymanus, H. Bluyssen, J. Chem. Phys. 50 (1969) 3330.
7. [7] J. Bellet, W.J. Lafferty, G. Steenbeckeliers, J. Mol. Spectrosc. 47 (1973) 388.
8. [8] F.C. de Lucia, P. Helminger, J. Mol. Spectrosc. 56 (1975) 138.
9. [9] E.R. Davidson, D. Feller, Chem. Phys. Letters 104 (1984) 54.
10. [10] P.L. Cummins, G.B. Bacskay, N.S. Hush, B. Halle. S. Engström, J. Chem. Phys. 82 (1985) 2002.
11. [11] P.L. Cummins, G.B. Bacskay, N.S. Hush, J. Chem. Phys. 87 (1987) 416.
12. [12] P.L. Cummins, G.B. Bacskay, N.S. Hush, Mol. Phys. 61 (1987) 795.
13. [13] R. Eggenberger, S. Gerber, H. Huber, D. Searles, M. Welker, J. Chem. Phys. 97 (1992) 5898.
14. [14] J.A. Glasel, Proc. Natl. Acad. Science 58 (1967) 27.
15. [15] B.B. Garrett, A.B. Denison, S.W. Rabideau, J. Phys. Chem. 71 (1967) 2606.
16. [16] J.C. Hindman, A. Svirmickas, M. Wood, J. Phys. Chem. 74 (1970) 1266.
17. [17] J.C. Hindman, A.J. Zielen, A. Svirmickas, M. Wood, J. Chem. Phys. 54 (1971) 621.
18. [18] J.R.C. van der Maarel, D. Lankhorst, J. de Bleijser, J.C. Leyte, Chem. Phys. Letters 122 (1985) 541.
19. [19] R.P.W.J. Struis, J. de Bleijser, J.C. Leyte, J. Phys. Chem. 91 (1987) 1639.
20. [20] R. Eggenberger, S. Gerber, H. Huber, D. Searles, M. Welker, Mol. Phys. 80 (1993) 1177.
21. [21] R. Eggenberger, S. Gerber, H. Huber, D. Searles, M. Welker, J. Comput. Chem. 14 (1993) 1553.
22. [22] N.W. Moriarty, G Karlström, J. Phys. Chem. 100 (1996) 17791.
23. [23] K. Pierloot, B. Dumez, P.-O. Widmark, B.O. Roos, Theor. Chim. Acta 90 (1995) 87.
24. [24] N.W. Moriarty, G. Karlström, J. Chem. Phys. 106 (1997) 6470.
25. [25] P.-O. Åstrand, G. Karlström, A, Engdahl, B. Nelander, J. Chem. Phys. 102 (1995) 3534.
26. [26] R.V. Reid, M.L. Vaida, Phys. Rev. Lett. 29 (1972) 494.
27. [27] R.V. Reid, M.L. Vaida, Phys. Rev. Lett. 34 (1975) 1064.
28. [28] D.M. Bishop, L.M. Cheung, Phys. Rev. A 20 (1979) 381.
29. [29] H.P. Kelly, Phys. Rev. 180 (1969) 55.
30. [30] J.F. Harrison, J. Chem. Phys. 47 (1967) 2990.
31. [31] D. Eisenberg, W. Kauzmann, The Structure and Properties of Water, Clarendon Press, Oxford, 1969.
32. [32] D. Neumann, J.W. Moskowitz, J. Chem. Phys. 49 (1968) 2056.
33. [33] S. Aung, R.M. Pitzer, S.I. Chan, J. Chem. Phys. 49 (1968) 2071.
34. [34] K. Ichikawa, Y. Kameda, T. Yamaguchi, H. Wakita, Mol. Phys. 73 (1991) 74.
35. [35] W.S. Benedict, N. Gailar, E.K. Plyler, J. Chem. Phys. 24 (1965) 1139.