A density functional study of weakly bound hydrogen bonded complexes

Chemical Physics

Volumn 232, Issue 3, 1998, Pages 299-306

  Chandra, Asit K ^a   Nguyen, Minh Tho ^a  

^a UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0032375078     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(98)00111-6     Document Type: Article

References (36)

1. Legon A.C., Millen D.J. Chem. Rev. 86:1986;635.
2. Hobza P., Zahradnik R. Chem. Rev. 88:1988;871.
3. G.A. Jeffrey, W. Saenger, Hydrogen Bonding in Biological Structures, Springer, Berlin, 1991.
4. G.R. Desiraju, Crystal Engineering: The Design of Organic Solids, Elsevier, Amsterdam, 1989.
5. Perdew J.P. Phys. Rev. B. 33:1986;8822.
6. Perez-Jorda J.M., Becke A.D. Chem. Phys. Lett. 233:1995;134.
7. Sim F., St-Amant A., Papai I., Salahub D.R. J. Am. Chem. Soc. 114:1992;4391.
8. Kim K., Jordan K.D. J. Phys. Chem. 98:1994;10089.
9. Kristyan S., Pulay P. Chem. Phys. Lett. 229:1994;175.
10. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
11. Becke A.D. J. Chem. Phys. 98:1993;5648.
12. De Proft F., Martin J.M.L., Geerlings P. Chem. Phys. Lett. 250:1996;393.
13. Kang H.C. Chem. Phys. Lett. 254:1996;135.
14. Jeong H.Y., Han Y. Chem. Phys. Lett. 263:1996;345.
15. Gaussian 94, Revision C.3, 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, Inc., Pittsburgh PA, 1995.
16. Frisch M.J., Del Bene J.E., Binkley J.S., Schaefer H.F. III. J. Chem. Phys. 84:1986;2279.
17. Schwenke D.W., Truhlar D.G. J. Chem. Phys. 82:1985;2418.
18. Xantheas S.S. J. Chem. Phys. 104:1996;8821.
19. McDonald S.A., Johnson G.L., Keelan B.W., Andrews L. J.Am. Chem. Soc. 102:1980;2892.
20. Legon A.C., Aldrich P.O., Flygare W.H. J. Chem. Phys. 75:1981;625.
21. Pople J.A., Frisch M.J., Del Bene J.E. Chem. Phys. Lett. 91:1982;185.
22. Hinchliffe A. Chem. Phys. Lett. 85:1982;531.
23. Frisch M.J., Pople J.A., Del Bene J.E. J. Chem. Phys. 78:1983;4063.
24. Legon A.C. Chem. Phys. Lett. 237:1995;291.
25. Buckingham A.D., Fowler P.W. Canadian J. Chem. 63:1985;2018.
26. Read W.G., Flygare W.H. J. Chem. Phys. 76:1982;2238.
27. Aldrich P.D., Legon A.C., Flygare W.H. J. Chem. Phys. 75:1981;2126.
28. Shea J.A., Flygare W.H. J. Chem. Phys. 76:1982;4857.
29. Herrebout W.A., Everaert G.P., Van der Veken B.J., Bulanin M.O. J. Chem. Phys. 107:1997;8886.
30. Patten K.O., Andrews L. J. Phys. Chem. 90:1986;3910.
31. Chandra A.K., Pal S., Limaye A.C., Gadre S.R. Chem. Phys. Lett. 247:1995;95.
32. A.K. Chandra, M.T. Nguyen, J. Chem. Res. (1997) 216.
33. Legon A.C., Willoughby L.C. Chem. Phys. Lett. 143:1988;214.
34. Sumathi R., Chandra A.K. Chem. Phys. Lett. 271:1997;287.
35. Sim F., Salahub D.R., Chin S., Dupuis M. J. Chem. Phys. 95:1991;4317.
36. Barnes A.J., Holroyd S. Spectrochim. Acta. 39A:1983;579.