✦ LIBER ✦
Ab initio studies of chemical equilibria. Equilibria containing first row hydrides AH2, AH3, and AH4 and their positive ions
✍ Scribed by Vladimir Kellö; Miroslav Urban; Petr Čársky; Zdeněk Slanina
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 383 KB
- Volume
- 53
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
Equilibrium constants were calculated for fourteen simple reactions involving AH*, AH3, and A_% fust row hydrides and their positive ions_ Except for the "experimental" correlation energies used, the theoretical approach is entirely nonempki-Cal in character. The results suggest that if the correlation effects were accounted for k a more sophisticated way, most of the c&dated equilibrium constants would be more reliible than the available experimental data_