Calculation of electronic tunneling matrix element in proteins: Comparison of exact and

Daizadeh, Iraj; Gehlen, John N.; Stuchebrukhov, Alexei A.
April 1997
Journal of Chemical Physics;4/1/1997, Vol. 106 Issue 13, p5658
Academic Journal
Reviews different approximate and exact one-electron methods such as perturbation theory, exact diagonalization and method of tunneling currents for the evaluation of electronic coupling in proteins. Comparison of calculations for three HisX-Ru-modified azurin molecules; Agreement of perturbation theory results with exact calculations.


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