Fast long-range adiabatic electron transfer in a model polyglycine α- helix [1]

Journal of the American Chemical Society

Volumn 121, Issue 6, 1999, Pages 1379-1380

  Herz, Thomas ^a   Gedeck, Peter ^a   Clark, Timothy ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

GLYCINE;

CALCULATION; ELECTRON TRANSPORT; LETTER; MODEL;

EID: 0033577016     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9836500     Document Type: Letter

References (15)

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2. Nocek, J. M.; Zhou, J. S.; De Forest, S.; Priyadarshy, S.; Beratan, D. N.; Onuchic, J. N.; Hoffman, B. M. Chem. Rev. 1996, 96 (No. 7), 2459. Deisenhofer, J.; Norris, J. R. The Photosynthetic Reaction Center; Academic Press: San Diego, 1993; Vol. I.
3. Jortner, J.; Ratner, M. In Molecular Electronics: a "chemistry for the 21st century monograph": Jortner, J., Ratner, M., Ed.; IUPAC/Blackwell: Oxford, 1997; Chapter I.
4. Kuki, A. Long-range electron transfer in biology. In Structure and bonding, 75; Palmer, G. A., Ed.; Springer: New York, 1991. Therien, M. J.; Chang, J.; Raphael, A. L.; Bowler, B. E.; Gray, H. B. Long-range electron transfer in biology. In Structure and bonding, 75; Palmer, G. A., Ed.; Springer: New York, 1991.
5. Kuki, A. Long-range electron transfer in biology. In Structure and bonding, 75; Palmer, G. A., Ed.; Springer: New York, 1991. Therien, M. J.; Chang, J.; Raphael, A. L.; Bowler, B. E.; Gray, H. B. Long-range electron transfer in biology. In Structure and bonding, 75; Palmer, G. A., Ed.; Springer: New York, 1991.
6. Ye, Y.-J.; Ladik, J. Phys. Rev. 1993, B 48, 5120.
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9. Rauhut, G.; Clark, T. J. Comput. Chem. 1993, 14, 503. Beck, B.; Rauhut, G.; Clark, T. J. Comput. Chem. 1994, 15, 1064.
10. Rauhut, G.; Clark, T. J. Comput. Chem. 1993, 14, 503. Beck, B.; Rauhut, G.; Clark, T. J. Comput. Chem. 1994, 15, 1064.
11. -1 Å-1.
12. BΤ defined in: Sutin, N. Prog. Inorg. Chem. 1983, 30, 441.
13. -1 was determined from the calculated potential energy curves.
14. All calculations were performed with VAMP 7.0 (Gedeck, P.; Burkhardt, F.; Horn, A.; Beck, B.; Rauhut, C.; Alex, A.; Chandrasekhar, J.; Steinke, T.; Sauer, W.; Hutter M.; Clark, T. Vamp 7.0, Oxford Molecular, The Medawar Centre. Oxford Science Park, Sandford-on-Thames, Oxford OX4 4GA, United Kingdom, 1998). The techniques used are defined in: Stewart, J. J. P. J. Comput. Aided Mol. Design 1990, 4, No. 1.
15. All calculations were performed with VAMP 7.0 (Gedeck, P.; Burkhardt, F.; Horn, A.; Beck, B.; Rauhut, C.; Alex, A.; Chandrasekhar, J.; Steinke, T.; Sauer, W.; Hutter M.; Clark, T. Vamp 7.0, Oxford Molecular, The Medawar Centre. Oxford Science Park, Sandford-on-Thames, Oxford OX4 4GA, United Kingdom, 1998). The techniques used are defined in: Stewart, J. J. P. J. Comput. Aided Mol. Design 1990, 4, No. 1.