Ab initio calculations for a series of excited states of the HZ02 molecule have been performed in order to discuss some recent photofragmentation experiments with laser light. For understanding these experiments the direction of the transition moments is of great interest, as well as the possibility
A theoretical model investigation of the hydrogen-electrode processes of an acidic H2O2 fuel cell
✍ Scribed by L. Pataki; A. Mady; R.D. Venter; R.A. Poirier; M.R. Peterson; I.G. Csizmadia
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 490 KB
- Volume
- 109
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Ab initio molecular-orbital (hl0) selfconsistent-field (SW) computations have been carried out within the restricted Hllrtrce-Fock (RHF) fomxalism on the species involved in 12 possible reaction mechanisms associated with the anodic process: Ii2 -. 213 + + 2c-of the hydrogen-oxygen acidic fuel cell. Such a model which represents the gas-phase reactions may bc regarded as ;I primary standard for any future study in which the catalyst of the electrode may be included.
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