Computational studies on the stability of [Amide]Br- complexes

Journal of Physical Chemistry A

Volumn 103, Issue 19, 1999, Pages 3778-3782

  Čajan, Michal ^a   Stibor, Ivan ^b   Koča, Jaroslav ^a  

^a MASARYK UNIVERSITY   (Czech Republic)

^b INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0005814886     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp990083+     Document Type: Article

References (19)

1. Wiórkiewicz-Kucera, J.; Bowman-James, K. Supramolecular Chemistry of Anions; Wiley-VCH: New York, 1997; p 335.
2. McDonald, N. A.; Duffy, E. M.; Jorgensen, W. L. J. Am. Chem. Soc. 1998, 120, 5104.
3. Stibor, I.; Haffed, D. S. M.; Lhoták, P.; Hodačová, J.; Koča, J.; Čajan M. Gazz. Chim. Ital. 1997, 127, 673.
4. Discover 2.9.8/96.0/4.0.0, Biosym/MSI, 1996.
5. Dauber-Osguthorpe, P.; Roberts, V. A.; Osguthorpe, D. J.; Wolff, J.; Genest, M.; Hagler, A. T. Proteins: Struct., Funct., Genet. 1988, 4, 31.
6. Dewar, M. S. J.; Zoebisch, E. G.; Healy, E. F.; Stewart, J. J. P. J. Am. Chem. Soc. 1995, 107, 3902.
7. Stewart, J. J. P. J. Comput. Chem. 1989, 10, 209.
8. Stewart, J. J. P. Quantum Chemistry Program Exchange, 1990.
9. Parr, R. G.; Yang, W. Density-Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
10. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
11. Godbout, N.; Salahub, D. R.; Andzelm, J.; Wimmer, E. Can. J. Chem. 1992, 70, 560.
12. Turbomole 95.0/3.0.0; Biosym/MSI, 1995.
13. Insight II 95.0; Biosym/MSI, 1995.
14. Mulliken, R. S. J. Chem. Phys. 1955, 23, 1833.
15. Löwdin, P. Q. Adv. Quantum Chem. 1970, 5, 185.
16. Cusachs, L. C.; Politzer, P. Chem. Phys. Lett. 1968, 1, 529.
17. Roby, K. R. Mol. Phys. 1974, 27, 81.
18. Davidson, E. R. J. Chem. Phys. 1967, 46, 1833.
19. Gundertofte, K.; Liljefors, T.; Norrby, P.; Pettersson, I. J. Comput. Chem. 1996, 17, 429.