![MEZhKLASTERNYY I VNUTRIKLASTERNYY OBMEN V POLIMERNOM KOMPLEKSE [Mn
6(O)
2(piv)
10(ina)
2], SODERZhASchEM PIVALATNYE I IZONIKOTINAMIDNYE LIGANDY](/upload/21232f297a57a5a743894a0e4a801fc3/journals/cover/95166a87c76a31158ddbba941da1ca51.jpeg)
The quantum-chemical analysis of intercluster and intracluster exchange interactions in coordination polymer [Mn III 2Mn II 4O 2(piv) 10(ina) 2] with pivalate (piv) and isonicotinamide (ina) ligands is performed. The model of isotropic exchange (with minimal number of parameters) suitable for the description of magnetic properties of [Mn III 2Mn II 4O 2(piv) 10(ina) 2] is proposed.
полиядерные обменные кластеры, квантово-химические расчеты, теория функционала плотности, обменное взаимодействие, метод нарушенной симметрии, polynuclear exchange clusters, quantum-chemical calculations, density functional theory, exchange coupling, broken symmetry approach
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