. "The extraction constant corresponding to the equilibrium K+(aq) + 1.Cs+(nb) equil. 1.K+(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system was evaluated as -0.9 +/- 0.1. By using DFT calculations, the most probable structure of the 1.K+ complex species was derived, with the valinomycin part stabilized by strong bond interactions of K+ with six ester carbonyl oxygen atoms. The calculated stabilization energy of the considered cationic complex species 1.K+ is -376.1 kJ/mol, confirming the very high stability of the complex." . . . "P(1ET400500402), S, Z(AV0Z40500505), Z(MSM4977751303)" . "RIV/61389013:_____/09:00332179" . "3"^^ . . . "[1736179FDB74]" . "1"^^ . "0026-9247" . "AT - Rakousk\u00E1 republika" . "11" . "A combined extraction and DFT study on the complexation of K+ with valinomycin"@en . . . "Va\u0148ura, P." . . . "000271503500004" . . "A combined extraction and DFT study on the complexation of K+ with valinomycin" . . "antibiotics; macrocycles; stability constant"@en . "RIV/61389013:_____/09:00332179!RIV10-AV0-61389013" . "A combined extraction and DFT study on the complexation of K+ with valinomycin" . "4"^^ . "Monatshefte fur Chemie" . . . "A combined extraction and DFT study on the complexation of K+ with valinomycin"@en . "Makrl\u00EDk, E." . . . "The extraction constant corresponding to the equilibrium K+(aq) + 1.Cs+(nb) equil. 1.K+(nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system was evaluated as -0.9 +/- 0.1. By using DFT calculations, the most probable structure of the 1.K+ complex species was derived, with the valinomycin part stabilized by strong bond interactions of K+ with six ester carbonyl oxygen atoms. The calculated stabilization energy of the considered cationic complex species 1.K+ is -376.1 kJ/mol, confirming the very high stability of the complex."@en . . "Dybal, Ji\u0159\u00ED" . "301165" . . . . "140" .