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Ab initio studies of chemical equilibria. Equilibria containing first row hydrides AH2, AH3, and AH4 and their positive ions by Vladimir Kellö; Miroslav Urban; Petr Čársky; Zdeněk Slanina is a Physics and Astronomy article available to read on EtoBox.

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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\_

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Author

Vladimir Kellö; Miroslav Urban; Petr Čársky; Zdeněk Slanina

Publisher

Elsevier Science; Elsevier ; Elsevier BV (ISSN 0009-2614)

Published

1978

Language

EN

Field

Physics and Astronomy (Physical Sciences)