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Calculation of thermodynamic properties of gold and silver complexes of mixed composition

  • Theoretical Inorganic Chemistry
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Abstract

Computation for gold and silver complexes of mixed composition with cyanide, rhodanide, and thiosulfate anions was carried out by PM6 semiempirical method. Heats of formation in a gas phase and aqueous medium and hydration energies were determined for 224 possible structure variations. For 15 most stable structures, thermodynamic parameters of interaction with AM-2B anionite were determined: adsorption energies, energetically favorable configurations, activation energies, potential energy surfaces, etc.

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Correspondence to N. S. Bekturganov.

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Original Russian Text © N.S. Bekturganov, D.B. Gogol’, M.R. Bisengalieva, A.S. Mukusheva, A.K. Koizhanova, L.L. Osipovskaya, 2014, published in Zhurnal Neorganicheskoi Khimii, 2014, Vol. 59, No. 4, pp. 492–499.

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Bekturganov, N.S., Gogol’, D.B., Bisengalieva, M.R. et al. Calculation of thermodynamic properties of gold and silver complexes of mixed composition. Russ. J. Inorg. Chem. 59, 337–344 (2014). https://doi.org/10.1134/S0036023614040032

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  • DOI: https://doi.org/10.1134/S0036023614040032

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