Density functional theory study of the β-carotene radical cation

Journal of Physical Chemistry A

Volumn 105, Issue 33, 2001, Pages 7933-7937

  Himo, Fahmi ^a  

^a SCRIPPS RESEARCH INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CAROTENE RADICAL CATIONS;

ANISOTROPY; CHEMICAL BONDS; INFRARED SPECTROSCOPY; PARAMAGNETIC RESONANCE; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

PROTEINS;

EID: 0035940268     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011473a     Document Type: Article

References (20)

1. Dawe, E. A.; Land, E. J. J. Chem. Soc., Faraday Trans. 1975, 71, 2162.
2. Velthuys, B. R. FEBS Lett. 1981, 126, 272.
3. Schenck, C. C.; Diner, D.; Mathis, P.; Satoh, K. Biochim. Biophys. Acta 1982, 689, 216.
4. Mathis, P.; Rutherford, A. W. Biochim. Biophys. Acta 1984, 767, 217.
5. Telfer, A.; De La Rivas, J.; Barber, J. Biochim. Biophys. Acta 1991, 1060, 106.
6. Noguchi, T.; Mitsuka, T.; Inoue, Y. FEBS Lett. 1994, 356, 179.
7. Hanley, J.; Deligiannakis, Y.; Pascal, A.; Faller, P.; Rutherford, A. W. Biochemsitry 1999, 38, 8189.
8. Deligiannakis, Y.; Hanley, J.; Rutherford, A. W. J. Am. Chem. Soc. 2000, 122, 400.
9. Faller, P.; Rutherford, A. W.; Un, S. J. Phys. Chem. B 2000, 104, 10960.
10. Vrettos, J. S.; Stewart, D. H.; de Paula, J. C.; Brudvig, G. W. J. Phys. Chem. B 1999, 103, 6403.
11. Tracewell, C. A.; Cua, A.; Stewart, D. H.; Bocian, D. F.; Brudvig, G. W. Biochemistry 2001, 40, 193.
12. Faller, P.; Maly, T.; Rutherford, A. W.; MacMillan, F. Biochemistry 2001, 40, 320.
13. Piekara-Sady, L.; Khaled, M. M.; Bradford, E.; Kispert, L. D.; Plato, M. Chem. Phys. Lett. 1991, 186, 143.
14. Wu, Y.; Piekara-Sady, L.; Kispert, L. D. Chem. Phys. Lett. 1991, 180, 573.
15. Jeevarajan, A. S.; Kispert, L. D.; Piekara-Sady, L. Chem. Phys. Lett. 1993, 209, 269.
16. (a) Becke, A. D. Phys. Rev. 1988, A38, 3098.
17. (b) Becke, A. D. J. Chem. Phys. 1993, 98, 1372.
18. (c) Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
19. See for instance the work of O'Malley, P. J.; Eriksson, L. A.; Barone, V.; Wheeler, R.; and others.
20. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian98, Revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.