Path integral simulation of charge transfer dynamics in photosynthetic reaction centers

Journal of Physical Chemistry B

Volumn 101, Issue 27, 1997, Pages 5446-5458

  Sim, Eunji ^a   Makri, Nancy ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BACTERIA; CHLOROPHYLL; COMPUTER SIMULATION; ELECTRON TRANSPORT PROPERTIES; ELECTRONIC DENSITY OF STATES; PHOTOSYNTHESIS; PROTEINS; REACTION KINETICS; SOLVENTS; THERMAL EFFECTS;

BACTERIOCHLOROPHYLL; BACTERIOPHEOPHYTIN; PATH INTEGRAL SIMULATIONS;

CHARGE TRANSFER;

EID: 0031551227     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp970707g     Document Type: Article

References (60)

1. Deisenhofer, J.; Epp, O.; Miki, K.; Huber, R.; Michel, H. J. Mol. Biol. 1984, 180, 385-398.
2. Deisenhofer, J., Norris, J. R., Eds.; Academic Press: New York, 1993; Vol. 2.
3. Fleming, G. R.; Grondelle, R. V. Phys. Today 1994, Feb., 49-55.
4. Holten, D.; Hoganson, C.; Windsor, M. W.; Schenck, C. C.; Parsons, W. W.; Migus, A.; Fork, R. L.; Shank, C. V. Biochim. Biophys. Acta 1980, 592, 461-477.
5. Woodbury, N. W.; Becker, M.; Middendorf, D.; Parson, W. W. Biochemistry 1985, 24, 7516-7521.
6. Martin, J.-L.; Breton, J.; Hoff, A. J.; Migus, A.; Antonetti, A. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 957-961.
7. Breton, J.; Martin, J. L.; Migus, A.; Antonetti, A.; Orszag, A. Proc. Natl. Acad. Sci. U.S.A. 1986, 83, 5121-5125.
8. Breton, J.; Martin, J. L.; Petrich, J.; Migus, A.; Antonetti, A. FEBS Lett. 1986, 209, 37-43.
9. Breton, J.; Martin, J.-L.; Fleming, G. R.; Lambry, J.-C. Biochemistry 1988, 27, 9276-9284.
10. Fleming, G. R.; Martin, J. L.; Breton, J. Nature (London) 1988, 333, 190-192.
11. Chan, C.-K.; DiMagno, T. J.; Chen, L. X.-Q.; Norris, J. R.; Fleming, G. R. Proc. Natl. Acad. Sci. U.S.A. 1991, 88, 11202-11206.
12. Schmidt, S.; Arlt, T.; Hamm, P.; Huber, H.; Nagele, T.; Wachtevitl, J.; Meyer, M.; Scheer, H.; Zinth, W. Chem. Phys. Lett. 1994, 223, 116-120.
13. Huber, H.; Meyer, M.; Nagele, T.; Hartl, I.; Scheer, H.; Zinth, W.; Wachtveitl, J. Chem. Phys. 1995, 197, 297-305.
14. Egger, R.; Mak, C. H.; Weiss, U. Phys. Rev. E 1994, 50, R655-R658.
15. Bixon, M.; Jortner, J.; Michel-Beyerle, M. E.; Ogrodnik, A.; Lersch, W. Chem. Phys. Lett. 1987, 140, 626-630.
16. Bixon, M.; Jortner, J.; Michel-Beyerle, M. E. Biochim. Biophys. Acta 1991, 1056, 301-315.
17. Marcus, R. A. Chem. Phys. Lett. 1987, 133, 471-477.
18. Marcus, R. A. Chem. Phys. Lett. 1988, 146, 13-21.
19. Parson, W. W.; Creighton, S.; Warshel, A. In Primary Processes in Photobiology; Kobayashi, T., Ed.; Springer-Verlag: Berlin, 1987.
20. Warshel, A.; Creighton, S.; Parson, W. W. J. Phys. Chem. 1988, 92, 2696-2701.
21. Creighton, S.; Hwang, J. K.; Warshel, E.; Parson, W. W.; Norris, J. Biochemistry 1988, 27, 774-781.
22. Sharp, K.; Honig, B. Annu. Rev. Biophys. Biophys. Chem. 1990, 19, 301-332.
23. Thompson, M. A.; Zerner, M. C. J. Am. Chem. Soc. 1991, 113, 8210-8215.
24. Marchi, M.; Gehlen, J. N.; Chandler, D.; Newton, M. J. Am. Chem. Soc. 1993, 115, 4178-4190.
25. Alden, R. G.; Parson, W. W.; Chu, Z. T.; Warshel, A. J. Am. Chem. Soc. 1995, 117, 12284-12298.
26. Hu, Y.; Mukamel, S. J. Chem. Phys. 1989, 91, 6973-6988.
27. Hu, Y.; Mukamel, S. Chem. Phys. Lett. 1989, 160, 410-416.
28. Egger, R.; Mak, C. H. J. Phys. Chem. 1994, 98, 9903-9918.
29. Mak, C. H.; Egger, R. Chem. Phys. Lett. 1995, 238, 149-157.
30. Makri, N.; Sim, E.; Makarov, D. E.; Topaler, M. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 3926-3931.
31. Sim, E.; Makri, N. Chem. Phys. Lett. 1996, 249, 224-230.
32. Sim, E.; Makri, N. Comput. Phys. Commun. 1997, 99, 335-354.
33. Zhang, L. Y.; Friesner, R. A. Proc. Natl. Acad. Sci. U.S.A., submitted.
34. Makarov, D. E.; Makri, N. Chem. Phys. Lett. 1994, 221, 482.
35. Marcus, R. A. J. Chem. Phys. 1956, 24, 966-978.
36. Feynman, R. P.; Hibbs, A. R. Quantum Mechanics and Path Integrals; Mcraw-Hill: New York, 1965.
37. Marcus, R. A.; Sutin, N. Biochim. Biophys. Acta 1985, 811, 265-322.
38. Onuchi, J. N.; Wolynes, P. G. J. Phys. Chem. 1988, 92, 6495-6503.
39. Onuchi, J. N.; Wolynes, P. G. J. Phys. Chem. 1993, 98, 2218-2224.
40. Marcus, R. A. Angew. Chem., Int. Ed. Engl. 1993, 32, 1111-1121.
41. Warshel, A.; Hwang, J.-K. J. Chem. Phys. 1986, 84, 4938-4957.
42. Warshel, A.; Chu, Z. T.; Parson, W. W. Science 1989, 246, 112-116.
43. Cho, M.; Silbey, R. J. Chem. Phys. 1995, 103, 595-606.
44. Feynman, R. P.; F. L. Vernon, J. Ann. Phys. 1963, 24, 118-173.
45. Leggett, A. J.; Chakravarty, S.; Dorsey, A. T.; Fisher, M. P. A.; Garg, A.; Zwerger, M. Rev. Mod. Phys. 1987, 59, 1-85.
46. Goldstein, R. A.; Takiff, L.; Box, S. G. Biochim. Biophys. Acta 1988, 934, 253-263.
47. Chidsey, C. E. D.; Takiff, L.; Goldstein, R. A.; Boxer, S. G. Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 6850-6854.
48. Leguit, L.; Visschers, R. W.; Crielaard, W.; Grondelle, R. v.; Hellingwerf, K. J. Biochim. Biophys. Acta 1992, 1102, 177-185.
49. Schulten, K.; Tesch, M. Chem. Phys. 1991, 158, 421-446.
50. Gehlen, J. N. Ph.D. Thesis, University of California, 1994.
51. Gehlen, J.; Marchi, M.; Chandler, D. Science 1994, 263, 499-502.
52. Makri, N.; Makarov, D. E. J. Chem. Phys. 1995, 102, 4611.
53. Makri, N. J. Math. Phys. 1995, 36, 2430-2456.
54. Makri, N. Path integral simulation of long-time dynamics in quantum dissipative systems. In Path integrals: Basics and Applications; DeWitt-Morette, C., Ed.; Plenum, New York, 1997.
55. Makri, N. Chem. Phys. Lett. 1992, 193, 435.
56. Heller, B. A.; Holten, D.; Kirmaier, C. Science 1995, 269, 940-945.
57. Hoffman, B. M.; Ratner, M. A. Inorg. Chim. Acta 1996, 243, 233-238.
58. Kirmaier, C.; Laporte, L.; Schenck, C. C.; Holten, D. J. Phys. Chem. 1995, 99, 8910.
59. Warshel, A.; Parson, W. W. Annu. Rev. Phys. Chem. 1991, 42, 279.
60. Alden, R. G.; Parson, W. W.; Chu, Z. T.; Warshel, A. J. Am. Chem. Soc. 1995, 117, 12284.