Quantum-chemical approach to the estimation of the composition of stable complex species in alkali metal halide melts

DOI10.1134/S0012501611040051zbMath1249.81009MaRDI QIDQ2900830

S. A. Kuznetsov, O. V. Kremenetskaya, V. G. Kremenetsky, V. T. Kalinnikov

Publication date: 26 July 2012

Published in: Doklady Physical Chemistry (Search for Journal in Brave)

zbMATH Keywords

Marcus formulacharge transferalkali metal halide meltscoordination sphere

Mathematics Subject Classification ID

Special quantum systems, such as solvable systems (81Q80) Electrochemistry (78A57)

Uses Software

• Gamess-Firefly

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