Ferrous iron reduction of Superoxide, A Proton-Coupled Electron-Transfer Four-Point Test

Journal of Physical Chemistry A

Volumn 113, Issue 6, 2009, Pages 1020-1025

  Wander, Matthew C F ^a   Kubicki, James D ^b   Clark, Aurora E ^a   Schoonen, Martin A A ^c  

^a WASHINGTON STATE UNIVERSITY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDIC PH; BASIS SETS; COMPUTATIONAL RESULTS; COMPUTATIONAL TIME; ELECTRON TRANSFERS; FENTON'S REACTIONS; FERROUS IRONS; FOUR POINTS; FOUR-POINT METHODS; HYBRID DENSITY FUNCTIONAL THEORIES; MULTI STEPS; NEUTRAL CASE; POLARIZED CONTINUUM MODELS; PROTON COUPLED ELECTRON TRANSFERS; QUANTUM MECHANICALS; RADICAL GENERATIONS; RATE-LIMITING STEPS; REDUCTANTS; REORGANIZATION ENERGIES; SEMI-EMPIRICAL; SINGLE STEPS; SUPEROXIDE; TEST CASE;

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSITIONS; FREE RADICAL REACTIONS; IRON; IRON OXIDES; MODEL STRUCTURES; OXYGEN; PROBABILITY DENSITY FUNCTION; PROTONS; REDOX REACTIONS;

PROTON TRANSFER;

EID: 61649085293     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806842f     Document Type: Article

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