Literature DB >> 20391444

Insight into the mechanism of the Ru2+-Ru3+ electron self-exchange reaction from quantitative rate calculations.

Harald Oberhofer1, Jochen Blumberger.   

Abstract

Year:  2010        PMID： 20391444     DOI： 10.1002/anie.200906455

Source DB:  PubMed          Journal:  Angew Chem Int Ed Engl        ISSN： 1433-7851            Impact factor:   15.336


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  7 in total

Review 1.  A hybrid approach to simulation of electron transfer in complex molecular systems.

Authors:  Tomáš Kubař; Marcus Elstner
Journal:  J R Soc Interface       Date:  2013-07-24       Impact factor: 4.118

2.  Electron flow in multiheme bacterial cytochromes is a balancing act between heme electronic interaction and redox potentials.

Authors:  Marian Breuer; Kevin M Rosso; Jochen Blumberger
Journal:  Proc Natl Acad Sci U S A       Date:  2014-01-02       Impact factor: 11.205

3.  Implementation and Validation of Constrained Density Functional Theory Forces in the CP2K Package.

Authors:  Christian S Ahart; Kevin M Rosso; Jochen Blumberger
Journal:  J Chem Theory Comput       Date:  2022-06-14       Impact factor: 6.578

4.  On the Origins of the Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in S(N)2 Reactions.

Authors:  Edina Rosta; Arieh Warshel
Journal:  J Chem Theory Comput       Date:  2012-03-29       Impact factor: 6.006

5.  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

Review 6.  Multi-haem cytochromes in Shewanella oneidensis MR-1: structures, functions and opportunities.

Authors:  Marian Breuer; Kevin M Rosso; Jochen Blumberger; Julea N Butt
Journal:  J R Soc Interface       Date:  2015-01-06       Impact factor: 4.118

7.  Quantum localization and delocalization of charge carriers in organic semiconducting crystals.

Authors:  Samuele Giannini; Antoine Carof; Matthew Ellis; Hui Yang; Orestis George Ziogos; Soumya Ghosh; Jochen Blumberger
Journal:  Nat Commun       Date:  2019-08-26       Impact factor: 14.919
  7 in total

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