Theoretical characterization of the structures and properties of phenol-(H2O)2 complexes

Journal of Chemical Physics

Volumn 113, Issue 13, 2000, Pages 5253-5258

  Fang, Wei Hai ^a   Liu, Ruo Zhuang ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

GROUND STATE; PHENOLS; SPECTRUM ANALYSIS; WATER;

CYCLIC STRUCTURES; EXCITED STATES;

COMPLEXATION;

EID: 0034301226     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1290017     Document Type: Article

References (32)

1. G. A. Jeffrey and W. Seanger, Hydrogen Bonding in Biological Structure (Springer-Verlag, Berlin, 1991).
2. S. Scheiner, Hydrogen Bonding: A Theoretical Perspective (Oxford University Press, New York, 1997).
3. J. Bella and H. Berman, J. Mol. Biol. 264, 734 (1996).
4. P. Auffinger and E. Westhof, Biophys. J. 71, 940 (1996).
5. S. Metzger and B. Lippert, J. Am. Chem. Soc. 118, 12467 (1996).
6. M. Schutz, T. Burgi, S. Leutwyler, and T. Fischer, J. Chem. Phys. 98, 3763 (1993).
7. T. Ebata, M. Furukawa, T. Suzuki, and M. Ito, J. Opt. Soc. Am. B 7, 1890 (1990).
8. G. Hartland, B. Henson, V. Ventura, and P. M. Felker, J. Phys. Chem. 96, 1164 (1992).
9. M. Gerhards, M. Schmitt, K. Kleinermanns, and W. Stahl, J. Chem. Phys. 104, 967 (1996).
10. H. Abe, N. Mikami, and M. Ito, J. Phys. Chem. 86, 1768 (1982).
11. A. Oikawa, H. Abe, N. Mikami, and M. Ito, J. Phys. Chem. 87, 5083 (1983).
12. A. Goto, M. Fujii, N. Mikami, and M. Ito, J. Phys. Chem. 90, 2370 (1986).
13. R. J. Lipert and S. D. Colson, J. Chem. Phys. 89, 4579 (1988).
14. R. J. Lipert and S. D. Colson, Chem. Phys. Lett. 161, 303 (1989).
15. R. J. Stanley and A. W. Castleman, Jr., J. Chem. Phys. 94, 7744 (1991).
16. G. Berden, W. L. Meerts, M. Schmitt, and K. Kleinermanns, J. Chem. Phys. 104, 972 (1996).
17. M. Schmitt, C. Jacoby, and K. Kleinermanns, J. Chem. Phys. 108, 4486 (1998).
18. R. M. Helm, H.-P. Vogel, and N. J. Neusser, J. Chem. Phys. 108, 4496 (1998).
19. R. J. Stanley and A. W. Castleman, Jr., J. Chem. Phys. 98, 796 (1993).
20. T. Watanabe, T. Ebata, S. Tanabe, and N. Mikami, J. Chem. Phys. 105, 408 (1996).
21. W.-H. Fang, J. Chem. Phys. 112, 1204 (2000).
22. R. J. Lipert and S. D. Colson, J. Phys. Chem. 94, 2358 (1990).
23. Ch. Jacoby, W. Roth, M. Schmitt, Ch. Janzen, D. Spangenberg, and K. Kleinermanns, J. Phys. Chem. A 102, 4471 (1998).
24. D. Feller and M. W. Feyereisen, J. Comput. Chem. 14, 1027 (1993).
25. H. Watanabe and S. Iwata, J. Chem. Phys. 105, 420 (1996).
26. M. Gerhards and K. Kleinermanns, J. Chem. Phys. 103, 7392 (1995).
27. A. P. Scott and L. Radom, J. Phys. Chem. 100, 16502 (1996).
28. GAUSSIAN 98 (Revision A.3), M. J. Frisch, G. W. Trucks, H. B. Schlegel et al. (Gaussian, Inc., Pittsburgh, PA, 1998).
29. T. Burgi, M. Schutz, and S. Leutwyler, J. Chem. Phys. 103, 6350 (1995).
30. C. Peng, P. Y. Ayala, H. B. Schegel, and M. J. Frisch, J. Comput. Chem. 17, 49 (1996).
31. M. Schmitt, H. Muller, and K. Kleinermanns, Chem. Phys. Lett. 218, 246 (1994).
32. S. Tanabe, T. Ebata, M. Fujii, and N. Mikami, Chem. Phys. Lett. 215, 347 (1993).