Theoretical investigation on intramolecular electron transfer in polypeptides

Chemical Physics Letters

Volumn 440, Issue 4-6, 2007, Pages 302-307

  Santhanamoorthi, N ^a   Kolandaivel, P ^a   Senthilkumar, K ^b  

^a BHARATHIAR UNIVERSITY   (India)

^b NGM COLLEGE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; MOLECULAR INTERACTIONS; OPTIMIZATION;

DIHEDRAL ANGLES; OLIGOPEPTIDE; REORGANIZATION ENERGY; SECONDARY STRUCTURES;

POLYPEPTIDES;

EID: 34248669849     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.04.050     Document Type: Article

References (34)

1. Shin Y.K., Newton M.D., and Isied S.S. J. Am. Chem. Soc. 125 (2003) 3722
2. Antonello S., Formaggio F., Moretto A., Toniolo C., and Maran F. J. Am. Chem. Soc. 125 (2003) 2874
3. Newton M.D. Chem. Rev. 91 (1991) 767
4. Imptota R., Antonello S., Formaggio F., Maran F., Rega N., and Barone V. J. Phys. Chem. B 109 (2005) 1023
5. La Chair J.J. Angew. Chem., Int. Ed. Engl. 38 (1999) 3045
6. Serrano-Andrés L., and Fülscher M.P. J. Phys. Chem. B 105 (2001) 9323
7. Isied S.S., Ogawa M.Y., and Wishart J.F. Chem. Rev. 92 (1992) 381
8. Chen X.G., Li P., Holz J.S., Chi Z., Pajcini V., Asher S.A., and Kelly L.A. J. Am. Chem. Soc. 118 (1996) 9705
9. Pajcini V., Chen X.G., Bormett R.W., Geib S.J., Li P., Asher S.A., and Lidiak E.G. J. Am. Chem. Soc. 118 (1996) 9716
10. McGimpsey W.G., Chen L., Carraway R., and Samaniego W.N. J. Phys. Chem. A 103 (1999) 6082 and references cited therein
11. Hill R.R., Jeffs G.E., Banaghan F., McNally T., and Werninck A.R. J. Chem. Soc., Perkin Trans. 2 (1996) 1595
12. Ramachandran G.N., and Sasisekharan V. Adv. Protein Chem. 23 (1968) 283
13. Santhanamoorthi N., Kolandaivel P., and Senthilkumar K. J. Phys. Chem. A 110 (2006) 11551
14. Senthilkumar K., Grozema F.C., Bickelhaupt F.M., and Siebbeles L.D.A. J. Chem. Phys. 119 (2003) 9809
15. Senthilkumar K., et al. J. Am. Chem. Soc. 127 (2005) 14894
16. Senthilkumar K., Grozema F.C., Guerra C.F., Bickelhaupt F.M., and Siebbeles L.D.A. J. Am. Chem. Soc. 125 (2003) 13658
17. van Eijck L., Senthilkumar K., Siebbeles L.D.A., and Kearley G. J. Phys. B 350 (2004) 220
18. Marcus R.A., and Sutin N. Biochim. Biophys. Acta Rev. Bioenerg. 811 (1985) 265
19. Mikkelsen K.V., and Ratner M.A. Chem. Rev. 87 (1987) 113
20. Bixon M., and Jortner J. Chem. Phys. 281 (2002) 393
21. Frisch M.J., et al. Gaussian-98, Revision A.11.2 (1998), Gaussian, Inc., Pittsburgh, PA
22. Csaszar A.G., and Perczel A. Prog. Biophys. Mol. Biol. 71 (1999) 243
23. Grozema F.C., Berlin Y.A., and Siebbeles L.D.A. Int. J. Quantum Chem. 75 (1999) 1009
24. Grozema F.C., Berlin Y.A., and Siebbeles L.D.A. J. Am. Chem. Soc. 122 (2000) 10903
25. Tavernier H.L., and Fayer M.D. J. Phys. Chem. B 104 (2000) 11541
26. Snijders J.G., Vernooijs P., and Baerends E.J.A. Data Nucl. Data Tables 26 (1981) 483
27. Becke A.D. Phys. Rev. A 38 (1988) 3098
28. Perdew J.P. Phys. Rev. B 33 (1986) 8822
29. Vosko S.H., Wilk L., and Nusair M. Can. J. Phys. 58 (1980) 1200
30. Chong D.P., Gritsenko O.V., and Baerends E.J. J. Chem. Phys. 116 (2002) 1760
31. te Velde G., Bickelhaupt F.M., Baerends E.J., Fonseca Guerra C., van Gisbergen S.J.A., Snijders J.G., and Ziegler T. J. Comput. Chem. 22 (2001) 931
32. Gao X., Zhou W., and Zhang W. Chem. Phys. 322 (2005) 366
33. Polo F., Antonello S., Formaggio F., Toniolo C., and Maran F. J. Am. Chem. Soc. 127 (2005) 492
34. Kobayashi C., Baldridge K., and Onuchic J.N. J. Chem. Phys. 119 (2003) 3550