Linear free energy relationships between aqueous phase hydroxyl radical reaction rate constants and free energy of activation

Environmental Science and Technology

Volumn 45, Issue 8, 2011, Pages 3479-3486

  Minakata, Daisuke ^a   Crittenden, John ^a  

^a Georgia Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ADVANCED OXIDATION PROCESS; ALIPHATIC COMPOUND; AQUEOUS PHASE; C-H BOND; COSMO-RS; ELECTRON-RICH; ELEMENTARY REACTION; ENERGY OF ACTIVATION; EXPERIMENTAL VALUES; GAS-PHASE REACTIONS; GAUSSIANS; H-ATOM ABSTRACTION; HYDROXYL RADICAL REACTIONS; HYDROXYL RADICALS; KINETIC MODELING; LINEAR FREE ENERGY RELATIONSHIPS; QUANTUM-MECHANICAL CALCULATION; RADICAL CHAIN REACTIONS; REACTION MECHANISM; REACTION PATHWAYS; STRONG OXIDANTS;

ACTIVATION ENERGY; CALCULATIONS; ERRORS; FORECASTING; FREE ENERGY; IGNEOUS ROCKS; OLEFINS; QUANTUM THEORY; REACTION KINETICS;

RATE CONSTANTS;

ALKENE DERIVATIVE; CARBON; HYDROGEN; HYDROXYL RADICAL; WATER;

AQUEOUS SOLUTION; GAUSSIAN METHOD; HYDROXYL RADICAL; KINETIC ENERGY; OXIDANT;

ADVANCED OXIDATION PROCESS; AQUEOUS SOLUTION; ARTICLE; CALCULATION; CHEMICAL BOND; COMPUTER MODEL; DENSITY FUNCTIONAL THEORY; ENERGY; EQUILIBRIUM CONSTANT; ERROR; FREE ENERGY OF ACTIVATION; GENERATOR; KERNEL METHOD; LINEAR FREE ENERGY RELATIONSHIP; OXIDATION KINETICS; PHASE TRANSITION; QUANTUM MECHANICS; REACTION ANALYSIS; SOLVATION; THEORETICAL MODEL;

HYDROXYL RADICAL; KINETICS; METHANE; MODELS, CHEMICAL; ORGANIC CHEMICALS; OXIDATION-REDUCTION; WATER POLLUTANTS, CHEMICAL;

EID: 79954541591     PISSN: 0013936X     EISSN: 15205851     Source Type: Journal    
DOI: 10.1021/es1020313     Document Type: Article

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