Evaluation of classical potential functions for hydrogen bonding in 7-azaindole and 1-azacarbazole complexes

Chemical Physics Letters

Volumn 293, Issue 5-6, 1998, Pages 515-522

  Mente, S ^a   Frankland, S J V ^a   Reynolds, L ^a   Maroncelli, M ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001660333     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)00834-3     Document Type: Article

References (34)

1. Ingham K.C., El-Bayoumi M.A. J. Am. Chem. Soc. 96:1974;1674.
2. Avouris P., Yang L.L., El-Bayoumi M.A. Photochem. Photobiol. 24:1976;211.
3. McMorrow D., Aartsma T.J. Chem. Phys. Lett. 125:1986;581.
4. Konijnenberg J., Huizer A.H., Varma C.A.G.O. J. Chem. Soc., Faraday Trans. II. 84:1988;1163.
5. Moog R.S., Maroncelli M. J. Phys. Chem. 95:1991;10359.
6. Chapman C.F., Maroncelli M. J. Phys. Chem. 96:1992;8430.
7. Smirnov A.V., English D.S., Rich R.L., Lane J., Teyton L., Schwabacher A.W., Luo S., Thornburg R.W., Petrich J.W. J. Phys. Chem. B. 101:1997;2758.
8. Chou P.T., Martinez M.L., Cooper W.C., McMorrow D., Collins S.T., Kasha M. J. Phys. Chem. 96:1992;5203.
9. Waluk J., Komorowski S.J., Herbich J. J. Phys. Chem. 90:1986;3868.
10. S.J. Boryschuk, M.S. Thesis, Pennsylvania State University, University Park, PA, 1993.
11. L. Reynolds, S.J. Boryschuk, C.F. Chapman, M. Maroncelli (in preparation).
12. Mente S., Maroncelli M. J. Phys. Chem. A. 102:1998;3860.
13. Besler B.H., Merz K.M., Kollman P.A. J. Comput. Chem. 11:1990;431.
14. Kuyper L., Ashton D., Merz K.M., Kollman P.A. J. Phys. Chem. 95:1991;6661.
15. Jorgensen W.L. J. Phys. Chem. 90:1986;1276.
16. Pranata J., Wierschke S.G., Jorgensen W.L. J. Am. Chem. Soc. 113:1991;2810.
17. S.J.V. Frankland, Ph.D. Thesis, Pennsylvania State University, University Park, PA, 1997.
18. W.L. Jorgensen, BOSS Version 3.5, Yale University, New Haven, CT, 1994.
19. Zwanzig R.L. J. Chem. Phys. 22:1954;1420.
20. Jorgensen W.L., Ravimohan C. J. Chem. Phys. 83:1985;3050.
21. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, GAUSSIAN 94, Revision B.1, Gaussian, Pittsburgh, PA, 1995.
22. S. Scheiner, Hydrogen Bonding: A Theoretical Perspective, Oxford University Press, New York, 1997.
23. Fuke K., Kaya K. J. Phys. Chem. 93:1989;614.
24. Nakajima A., Hirano M., Hasumi R., Kaya K., Watanabe H., Carter C.C., Williamson J.M., Miller T.A. J. Phys. Chem. A. 101:1997;392.
25. Huang Y., Arnold S., Sulkes M. J. Phys. Chem. 100:1996;4734.
26. Kim S.K., Bernstein E.R. J. Phys. Chem. 94:1990;3531.
27. Gordon M.S. J. Phys. Chem. 100:1996;3974.
28. Chou P.T., Wei C., Chang C., Meng-Shin K. J. Phys. Chem. 99:1995;11994.
29. R.S. Moog, personal communication, March 1998.
30. Chang C., Shabestary N., El-Bayoumi M.A. Chem. Phys. Lett. 75:1980;107.
31. Chou P.T., Wei C., Chang C., Chiu C. J. Am. Chem. Soc. 117:1995;7259.
32. W.L. Jorgensen, C.J. Swenson J. Am. Chem. Soc., 107 (1985) 569, 1489.
33. Sepiol J., Wild U.P. Chem. Phys. Lett. 93:1982;204.
34. Chang C., Wen-Chi H., Meng-Shin K., Chou P.T., Clements J.H. J. Phys. Chem. 98:1994;8801.