Density functional theory study of the hydrogen bonding interaction of 1:1 complexes of formamide with cysteine

Journal of Molecular Structure: THEOCHEM

Volumn 756, Issue 1-3, 2005, Pages 143-149

  Zhao, Gang ^a,b   Duan, Chunsheng ^c   Zhou, Zhengyu ^a,b   Wu, Qunyan ^a,b   Lu, Jinfeng ^a,b  

^a QUFU NORMAL UNIVERSITY   (China)

^b SHANDONG UNIVERSITY   (China)

^c QINGDAO UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Cysteine; Density functional theory; Formamide; IR spectra; Structures

Indexed keywords

EID: 28544452249     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.08.030     Document Type: Article

References (30)

1. F.J. Lovas, R.D. Suenram, and G.T. Fraser J. Chem. Phys. 88 1988 722
2. G.T. Fraser, R.D. Suenram, and F.J. Lovas J. Mol. Struct. 165 1988 189
3. J.E. Del Bene J. Chem. Phys. 62 1975 1961
4. J.F. Hinton, and R.D. Harpool J. Am. Chem. Soc. 99 1997 349
5. P.G. Jasien, and W.J. Stevens J. Chem. Phys. 84 1986 3721
6. E.L. Coitino, and K. Irving J. Mol. Struct. 210 1990 405
7. A. Engdahl, and B. Nelander J. Chem. Phys. 99 1993 4894
8. F. Sim, and A. St-Amant J. Am. Chem. Soc. 114 1992 4391
9. N. Sathyan, V. Santhanam, and J. Sobhanadri J. Mol. Struct. 333 1995 179
10. M.C. Shivaglal, and S. Singh Int. J. Quantum. Chem. 44 1992 679
11. J.C. Contador, M.L. Sanchez, M.A. Aguilar, and F.J. Olivares del Valle J. Chem. Phys. 104 1996 5539
12. N.A. Besley, and J.D. Hirst J. Am. Chem. Soc. 121 1999 8559
13. Z.Y. Zhou, Y. Shi, and X.M. Zhou J. Phys. Chem. A 108 2004 813
14. S. Marek, J. Florian, and A. Warshel J. Phys. Chem. B 105 2001 4471
15. A.M. Boulet Chem. Phys. Lett 331 2000 108
16. T. Ishida, and K. Shigeki J. Am. Chem. Soc. 125 2003 39
17. R.F. Liu, R.T. Dennis, A.C. Jefferey, and R.M. Panla J. Phys. Chem. 100 1996 3430
18. X.F. Zhou, and R.F. Liu Spectrochim. Acta, Part A 53 1997 259
19. O. Nwobi, J. Higgins, X.F. Zhou, and R.F. Liu Chem. Phys. Lett 272 1997 155
20. D.W. Michael, L.E. Dykstra, and J.M. Lisy J. Chem. Phys. 81 1984 1360
21. M.M. Szczesniak, Z. Latajka, and S. Scheiner J. Mol. Struct. (Theochem) 135 1986 179
22. F.B. Vanduijneveldt, J.G.C.M. Van Duijneveldt-Vande Rijdt, and J.H. Van Lenthe Chem. Rev. 94 1994 1873
23. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
24. Frisch M.J., Trucks G.W., Schlegel H.B., Gill P.M.W., Johnson B.G., Robb M.A., Cheeseman J.R., Keith T., Petersson G. A., Montgomery J.A., Raghavachari K., Al-Laham M.A., Zakrzewski V.G., Ortiz J.V., Foresman J.B., Cioslowski J., Stefanov B.B., Nanayakkara A., Challacombe M., Peng C.Y., Ayala P.Y., Chen W., Wong M.W., Andres J.L., Replogle E.S., Gomperts R., Martin R.L., Fox D.J., Binkley J.S., Defrees D.J., Baker J., Stewart J.P., Head-Gordon M., Gonzales C., and Pople J.A. GAUSSIAN 98; GAUSSIAN Inc., Pittsburgh. PA. 1998.
25. C.L. Brummel, M. Shen, K.B. Hevelt, and L.A. Philips J. Opt. Soc. Am. B 11 176 1994 36
26. D.A. Dixon, and N. Matsuzawa J. Phys. Chem. 98 1994 3967
27. J. Florian, and N. Matsuzawa J. Phys. Chem. 98 1994 3681
28. C.C. Costain, and J.M. Dowling J. Chem. Phys. 32 1953 158
29. R.J. Kurland, and E.B. Wilson J. Chem. Phys. 27 1957 585
30. C. Pepe, S. Rochut, J.P. Paumard, and J.C. Tabet Rapid Commun. Mass Spectrom. 18 2004 307