Explanation of the unusual temperature dependence of the atmospherically important OH + H2S → H2O + HS reaction and prediction of the rate constant at combustion temperatures

Journal of the American Chemical Society

Volumn 129, Issue 42, 2007, Pages 12765-12771

  Ellingson, Benjamin A ^a   Truhlar, Donald G ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; HARMONIC ANALYSIS; QUANTUM THEORY; RATE CONSTANTS; THERMAL EFFECTS; VARIATIONAL TECHNIQUES;

PITZER-GWINN TREATMENT; TEMPERATURE DEPENDENCE; TRANSITION STATES;

ATMOSPHERIC CHEMISTRY;

HYDROGEN SULFIDE; HYDROXIDE; WATER;

ARTICLE; ATMOSPHERE; CALCULATION; CHEMICAL REACTION; COMBUSTION; DENSITY FUNCTIONAL THEORY; DYNAMICS; ENERGY TRANSFER; PREDICTION; QUANTUM MECHANICS; TEMPERATURE DEPENDENCE;

EID: 35548942738     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja072538b     Document Type: Article

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