Pathways and mobile π electrons in biological electron transfer
Article first published online: 19 OCT 2004
Copyright © 1993 John Wiley & Sons, Inc.
International Journal of Quantum Chemistry
Supplement: Proceedings of the International Syposium on the Application of Fundamental Theory to Problems of Biology and Pharmacology
Volume 48, Issue Supplement 20, pages 65–76, 13/20 March 1993
How to Cite
Larsson, S. and Braga, M. (1993), Pathways and mobile π electrons in biological electron transfer. Int. J. Quantum Chem., 48: 65–76. doi: 10.1002/qua.560480710
- Issue published online: 19 OCT 2004
- Article first published online: 19 OCT 2004
- Manuscript Received: 12 MAY 1993
Electron transfer in proteins is discussed and compared to electron transfer in bridged donor–acceptor systems. Results from extensive ab initio calculations for the latter type of system are summarized. The electronic factor Δ is often nonexponential as a function of number of bonds in the bridge. Δ may even change sign as the number of bonds in the bridge is increased in a repetitive way. Correlation effects, including the “broken symmetry” correction, are studied and are found to be important in some cases. The variational problem is formulated as an interaction between a donor and an acceptor via “pathways” through the protein. © 1993 John Wiley & Sons, Inc.