Published 1981
| Version v1
Book
Theoretical studies of selected reactions in the hydrogen-oxygen system
Creators
- 1. Theoretical Chem. Group, Chemistry Division Argonne National Lab., Argonne, IL 60439
Description
Recent ab initio calculations characterizing the reactants, transition state, and the products of three reactions of importance in the oxidation of molecular hydrogen are reviewed. The transition state theory (TST) is used as is the polarization configuration-interaction (POL-CI) method. The O + H2, OH + H2, and H + O2 reactions are covered in terms of the elementary theoretical considerations, and the energetics and dynamics of the reactions
Additional details
Publishing Information
- Publisher
- Plenum.
- Imprint Place
- New York, NY
- Imprint Title
- Potential energy surface and dynamics calculations
- Journal Page Range
- p. 329-357.
Conference
- Title
- 180. American Chemical Society meeting/2. chemical congress of the North American Continent.
- Dates
- 24 - 29 Aug 1980.
- Place
- Las Vegas, NV (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 14736305
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- CHEMICAL REACTIONS; CONFIGURATION INTERACTION; HYDROGEN; OXIDATION; OXYGEN
- Descriptors DEC
- ELEMENTS; NONMETALS