Ab initio calculations on phenol-water

Chemical Physics Letters

Volumn 350, Issue 5-6, 2001, Pages 565-572

  Tsui, Helen H Y ^a   Van Mourik, Tanja ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001473870     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(01)01330-6     Document Type: Article

References (35)

1. Schütz M., Burgi T., Leutwyler S., Fischer T. J. Chem. Phys. 98:1993;3763.
2. Feller D., Feyereisen M.W. J. Comput. Chem. 14:1993;1027.
3. Watanabe H., Iwata S. J. Chem. Phys. 105:1996;420.
4. Benoit D.M., Clary D.C., Chavagnac A.X. Chem. Phys. Lett. 283:1998;269.
5. Dimitrova Y. J. Molec. Struct. (Theochem). 455:1998;9.
6. Fang W.-H. J. Chem. Phys. 112:2000;1204.
7. Benoit D.M., Clary D.C. J. Phys. Chem. A. 104:2000;5590.
8. Lüchow A., Spangenberg D., Janzen C., Jansen A., Gerhards M., Kleinermanns K. Phys. Chem. Chem. Phys. 3:2001;2771.
9. Stanley R.J., Castleman A.W. J. Chem. Phys. 94:1991;7744.
10. Tanabe S., Ebata T., Fujii M., Mikami N. Chem. Phys. Lett. 215:1993;347.
11. Gerhards M., Schmitt M., Kleinermanns K., Stahl W. J. Chem. Phys. 104:1996;967.
12. Berden G., Meerts W.L., Schmitt M., Kleinermanns K. J. Chem. Phys. 104:1996;972.
13. Watanabe T., Ebata T., Tanabe S., Mikami N. J. Chem. Phys. 105:1996;408.
14. Roth W., Schmitt M., Jacoby C., Spangenberg D., Janzen C., Kleinermanns K. Chem. Phys. 239:1998;1.
15. Lipert R.J., Colson S.D. J. Chem. Phys. 89:1998;4579.
16. Schmitt M., Jacoby C., Kleinermanns K. J. Chem. Phys. 108:1998;4486.
17. Helm R.M., Vogel H.P., Neusser H.J. J. Chem. Phys. 108:1998;4496.
18. Courty A., Mons M., Dimicoli I., Piuzzi F., Brenner V., Millie P. J. Phys. Chem. A. 102:1998;4890.
19. Braun J.E., Mehnert T., Neusser H.J. Int. J. Mass. Spectr. 203:2000;1.
20. H.H.Y. Tsui, New models for intermolecular repulsion and their application to van der waals complexes and crystals of organic molecules, Ph.D. Thesis, University College London, London (United Kingdom), 2001.
21. van Mourik T., Price S.L., Clary D.C. Chem. Phys. Lett. 331:2000;253.
22. T. van Mourik, Correlated ab initio calculations on weakly bonded systems, Ph.D. Thesis, University of Utrecht, Utrecht (The Netherlands), 1994.
23. Gutowski M., Verbeek J., van Lenthe J.H., Cha l asinski K. Chem. Phys. 111:1987;271.
24. van Mourik T., Price S.L., Clary D.C. J. Phys. Chem. A. 103:1999;1611.
25. Stone A.J., Dullweber D., Hodges M.P., Popelier P.L.A., Wales D.J. ORIENT - a program for carrying out calculations of various kinds for an assembly of interacting molecules, 4.0. 1999;University of Cambridge, Cambridge, UK.
26. van Duijneveldt-van de Rijdt J.G.C.M., van Duijneveldt F.B. Theoretical Treatments of Hydrogen Bonding. 1997;Wiley, New York.
27. Boys S.F., Bernardi F. Molec. Phys. 19:1970;553.
28. Smit P.H., Derissen J.L., van Duijneveldt F.B. J. Chem. Phys. 69:1978;4241.
29. Frisch M.J.et al. GAUSSIAN 98, Revision A.2. 1998;Gaussian Inc, Pittsburgh.
30. Sagarik K.P., Asawakun P. Chem. Phys. 219:1997;173.
31. van Mourik T., Price S.L., Clary D.C. Faraday Disc. 118:2001;95.
32. Hobza P., Bludsky O., Suhai S. Phys. Chem. Chem. Phys. 1:1999;3073.
33. Klopper W., van Duijneveldt-van de Rijdt J.G.C.M., van Duijneveldt F.B. Phys. Chem. Chem. Phys. 2:2000;2227.
34. Feller D. J. Phys. Chem. A. 103:1999;7558.
35. Ebata T., Iwasaki A., Mikami N. J. Phys. Chem. A. 104:2000;7974.