One-electron reduction potentials from chemical structure theory calculations

ACS Symposium Series

Volumn 1071, Issue , 2011, Pages 37-64

  Bylaska, Eric J ^a   Salter Blanc, Alexandra J ^b   Tratnyek, Paul G ^b  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b OREGON HEALTH AND SCIENCE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DECHLORINATION; PHOTODISSOCIATION; QUANTUM THEORY; REDOX REACTIONS; RELIABILITY ANALYSIS; STRUCTURE (COMPOSITION);

CHLORINATED ALIPHATIC COMPOUNDS; CONTAMINANT DEGRADATION; ENVIRONMENTAL CONTAMINANT; NITRO AROMATIC COMPOUNDS; ONE-ELECTRON REDUCTION POTENTIALS; PREDICTING PROPERTIES; QUANTUM MECHANICAL MODEL; SINGLE ELECTRON TRANSFER;

DATA REDUCTION;

EID: 84905501585     PISSN: 00976156     EISSN: 19475918     Source Type: Book Series    
DOI: 10.1021/bk-2011-1071.ch003     Document Type: Conference Paper

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