A hybrid-type approach with MD and DFT calculations for evaluation of redox potential of molecules

Author： Iwayama Masashi   Kurniawan Isman   Kawaguchi Kazutomo   Saito Hiroaki   Nagao Hidemi  

Publisher： Taylor & Francis Ltd

E-ISSN： 1029-0435|41|10-12|936-941

ISSN： 0892-7022

Source： Molecular Simulation, Vol.41, Iss.10-12, 2015-08, pp. : 936-941

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