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Electron tunneling in proteins: Implementation of ZINDO model for tunneling currents calculations

Authors :
Xuehe, Zheng
Stuckebrukhov, Alexel A.
Source :
Journal of Physical Chemistry B. July 10, 2003, Vol. 107 Issue 27, p6621, 8 p.
Publication Year :
2003

Abstract

The study demonstrates the ZINDO model as accurate and efficient when employed for tunneling currents, calculations and can be utilized in studies of electron tunneling in large biological systems. The advantage of this model is that it employs STO basis functions, which decays more slowly than GTO functions, so the weak tunneling interactions of noncovalently bonded atoms of the protein can be accounted for minimum basis set.

Details

Language :
English
ISSN :
15206106
Volume :
107
Issue :
27
Database :
Gale General OneFile
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
edsgcl.123452594