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.
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APA
Minkin, V. I., Starikov, A. G., & Starikova, A. A. (2018). Computational insight into magnetic behavior and properties of the transition metal complexes with redox-active ligands: A DFT approach. In Pure and Applied Chemistry (Vol. 90, pp. 811–824). Walter de Gruyter GmbH. https://doi.org/10.1515/pac-2017-0803
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