Anomalous Pressures and Vibrations in Gas Explosions. Determination of the Dissociation Energy 2H2O⇌2OH+H2
✍ Scribed by Lewis, Bernard; von Elbe, Guenther
- Book ID
- 121244447
- Publisher
- American Institute of Physics
- Year
- 1935
- Tongue
- English
- Weight
- 781 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0021-9606
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## Abstract The ability to use calculated OH frequencies to assign experimentally observed peaks in hydrogen bonded systems hinges on the accuracy of the calculation. Here we test the ability of several commonly employed model chemistries—HF, MP2, and several density functionals paired with the 6‐3
results of zb initio &culations for the two title reactions me reported. Temperature dependenrrs of cqniti& rium constants were obtained by a standard statistical-thermodynamic treatment for which all necessary molecular tortstants were generated by the ab initio SCF calculations of double zeta qual