Literature DB >> 16680796

A parameter-free quantum-mechanical approach for calculating electron-transfer rates for large systems in solution.

Roberto Improta1, Vincenzo Barone, Marshall D Newton.   

Abstract

Year:  2006        PMID： 16680796     DOI： 10.1002/cphc.200600069

Source DB:  PubMed          Journal:  Chemphyschem        ISSN： 1439-4235            Impact factor:   3.102


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  3 in total

1.  Coupling coherence distinguishes structure sensitivity in protein electron transfer.

Authors:  Tatiana R Prytkova; Igor V Kurnikov; David N Beratan
Journal:  Science       Date:  2007-02-02       Impact factor: 47.728

2.  Fragment-based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+-Ru3+ Self-Exchange Electron Transfer.

Authors:  Xiancheng Zeng; Xiangqian Hu; Weitao Yang
Journal:  J Chem Theory Comput       Date:  2012-12-11       Impact factor: 6.006

3.  Mapping protein electron transfer pathways with QM/MM methods.

Authors:  Victor Guallar; Frank Wallrapp
Journal:  J R Soc Interface       Date:  2008-12-06       Impact factor: 4.118
  3 in total

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