Hartree-Fock limit properties of the water dimer in absence of BSSE

Chemical Physics

Volumn 232, Issue 3, 1998, Pages 275-287

  Famulari, A ^a   Raimondi, M ^a   Sironi, M ^a   Gianinetti, E ^a  

^a UNIVERSITY OF MILAN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032382284     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(98)00121-9     Document Type: Article

References (56)

1. S. Scheiner, in: K.B. Lipkowitz, D.B. Boyd (Eds.), Reviews in Computational Chemistry II, VCH, New York, 1991.
2. Scheiner S. Annu. Rev. Phys. Chem. 45:1994;23.
3. Gordon M.S., Jensen J.H. Acc. Chem. Res. 29:1996;536.
4. D. Hadzi, Theoretical Treatments of Hydrogen Bonding, Wiley Research Series in Theoretical Chemistry. Wiley, Chichester, 1997.
5. Kolos W. Theor. Chim. Acta. 51:1979;219.
6. Tursi A.J., Nixon E.R. J. Chem. Phys. 52:1970;1521.
7. Van Thiel M., Becker E.D., Piantel G.C. J. Chem. Phys. 27:1957;486.
8. Kollman P.A., Buckingham A.D. Mol. Phys. 21:1971;567.
9. Dyke T.R., Mack K.M., Muenter J.S. J. Chem. Phys. 66:1977;499.
10. Curtiss L.A., Frurie D.J., Blander M. J. Chem. Phys. 71:1979;2703.
11. Szczesniak M.M., Scheiner S. J. Chem. Phys. 84:1986;6328.
12. Diercksen H.F., Kraemer W.P., Roos B.O. Theor. Chim. Acta. 36:1975;249.
13. Mas E.M., Szalewicz K. J. Chem. Phys. 104:1996;7606.
14. Frisch M.J., Del Bene J.E., Binkley J.S., Shaefer III H.F. J. Chem. Phys. 84:1986;2279.
15. Feller D. J. Chem. Phys. 96:1992;6104.
16. E. Clementi, G. Corongiu, O.G. Stradella, Modern Techniques in Computational Chemistry: MOTECC-91, ESCOM Science, Leiden, 1991, pp. 295-380.
17. van Duijneveldt-van de Rijdt J.G.C.M., van Duijneveldt F.B. J. Chem. Phys. 97:1992;5019.
18. Halkier A., Koch H., Jørgensen P., Christiansen O., Beck Nielsen I.M., Helgaker T. Theor. Chem. Acc. 97:1997;150.
19. Schütz M., Brdarski S., Widmark P.O., Lindh R., Karlström G. J. Chem. Phys. 107:1997;4597.
20. Kestner N.R. J. Chem. Phys. 48:1968;252.
21. Saebo S., Tong W., Pulay P. J. Chem. Phys. 98:1993;2170.
22. Gianinetti E., Raimondi M., Tornaghi E. Int. J. Quantum Chem. 60:1996;157.
23. A. Famulari, M. Raimondi, E. Gianinetti, M. Sironi, Int. J. Quantum Chem. (1998, in press).
24. Famulari A., Raimondi M., Sironi M., Gianinetti E. Chem. Phys. 232:1998;289.
25. Boys S.F., Bernardi F. Mol. Phys. 19:1970;553.
26. Wells B.H., Wilson S. Mol. Phys. 50:1983;1295.
27. Schwenke D.W., Truhlar D.G. J. Chem. Phys. 82:1985;2418.
28. Davidson E.R., Chakravorty S.J. Chem. Phys. Lett. 217:1994;48.
29. Karlström G., Sadlej A.J. Theor. Chim. Acta. 61:1982;1.
30. Simon S., Duran M., Dannenberg J.J. J. Chem. Phys. 105:1996;11024.
31. A. Famulari, Ph.D. Thesis, Dipartimento di Chimica Fisica ed Elettrochimica, Università degli Studi di Milano, Milano, 1997.
32. Xantheas S.S. J. Chem. Phys. 104:1996;8821.
33. Schmidt M.W., Baldridge K.K., Boatz J.A., Elbert S.T., Gordon M.S., Jensen J., Koseki S., Matsunaga N., Nguyen K.A., Su S.J., Windus T.L., Dupuis M., Montgomery J.A. J. Comput. Chem. 14:1993;1347.
34. GAMESS-US Reference Manual, 1997.
35. Osamura Y., Yamaguchi Y., Schaefer H.F. Chem. Phys. 103:1986;227.
36. Yamaguchi Y., Frisch M.J., Gaw J.F., Schaefer H.F., Binkley J.S. J. Chem. Phys. 84:1986;2262.
37. E. Gianinetti, I. Vandoni, A. Famulari, M. Raimondi, Adv. Quantum Chem. (1998, in press).
38. Gerratt J., Mills I.M. J. Chem. Phys. 49:1968;1719.
39. Pulay P. Mol. Phys. 17:1969;197.
40. Y. Yamaguchi, Y. Osamura, J.D. Goddard, H.F. Schaefer, A New Dimension to Quantum Chemistry: Analytic Derivative Methods in Ab Initio Molecular Electronic Structure Theory, Oxford University Press, Oxford, 1994.
41. Schmidt M.W., Ruedenberg K. J. Chem. Phys. 71:1979;3951.
42. Sadlej A.J. Chem. Phys. Lett. 47:1977;50.
43. Benedict W.S., Gailar N., Plyler E.K. J. Chem. Phys. 24:1956;1139.
44. White J.C., Davidson E.R. J. Chem. Phys. 93:1990;8029.
45. Szalewicz K., Cole S.J., Kolos W., Bartlett R.J. J. Chem. Phys. 89:1988;3662.
46. Kim K.S., Mhin B.J., Choi U.C., Lee K. J. Chem. Phys. 97:1992;6649.
47. E. Clementi, G. Corongiu, O.G. Stradella, Modern Techniques in Computational Chemistry: MOTECC-91, ESCOM Science, Leiden, 1991.
48. Caravetta V., Clementi E. J. Chem. Phys. 81:1984;2646.
49. Ermler W.C., Kern C.W. J. Chem. Phys. 61:1974;3860.
50. Popkie H., Kistenmacher H., Clementi E. J. Chem. Phys. 59:1973;1325.
51. Del Bene J.E., Mettee H.D. J. Phys. Chem. 95:1991;5387.
52. Millot C., Stone A.J. Mol. Phys. 77:1992;439.
53. C. Gatti, A. Famulari, in: P.G. Mezey, B. Robertson (Eds.), Understanding Chemical Reactivity: Electron, Spin and Momentum Densities and Chemical Reactivity, Vol. 2, Kluwer, 1998, in press.
54. Chalasinski G., Szczesniak M.M. Chem. Rev. 94:1994;1723.
55. M. Raimondi, A. Famulari, E. Gianinetti, R. Specchio, M. Sironi, I. Vandoni, Adv. Quantum Chem. (1998, in press).
56. Famulari A., Specchio R., Sironi M., Raimondi M. J. Chem. Phys. 108:1998;3296.