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Abstract Various aspects related to the use of DFT method for the study of magnetic, geometry and energetic properties of transition metal complexes with redox-active ligands are considered. Particular attention… Click to show full abstract
Abstract Various aspects related to the use of DFT method for the study of magnetic, geometry and energetic properties of transition metal complexes with redox-active ligands are considered. Particular attention is given to the correct choice of model compounds and methodology of the calculations.
Keywords:
transition metal;
properties transition;
complexes redox;
metal complexes;
redox active;
active ligands
Journal Title: Pure and Applied Chemistry
Year Published: 2018
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Journal Title: Pure and Applied Chemistry
Year Published: 2018
Link to full text (if available)
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recommendations!