Abstract
The geometry of the H 2 O2 , OH , HO2 , O2 particles and the energy profiles of the initial reactions between them, that are supposed to take place during the process of decomposition of hydrogen peroxide, were studied by ab initio calculations. It was shown that the differences between the energies of reactants and the products of all analysed reaction are positive values and correlate with the experimental data.
Publisher
Institute of Chemistry of Academy of Science of Moldova
Subject
Process Chemistry and Technology,Environmental Chemistry,General Chemistry
Reference13 articles.
1. E. R. Stadman, B. S. Berlett and P. B. Chock. Proc. Nat. Acad. Sci. USA Vol. 87, pp. 384-388, January 1990
2. Budnikov S. S., Pineda L., Sichev A. Ia. Phis. Chem. Journ., 1985, Vol. LIX, pp. 1702-1706
3. Sichev A. Ia., Isac V. G. Successes of Chemistry 64 (12) 1995 pp. 1183-1208
4. General atomic and molecular electronic structure system
5. Zhao Min et al. Chinese Journal of Chemistry, 2004, 22, 611-615
Cited by
2 articles.
订阅此论文施引文献
订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献