Accurate Modeling of Spin-State Energetics in Spin-Crossover Systems with Modern Density Functional Theory
Author:
Affiliation:
1. Lehrstuhl für Theoretische Chemie, Institut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstrasse 12, D-53115 Bonn, Germany
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ic902365a
Reference51 articles.
1. Towards Spin Crossover Applications
2. Reparameterization of hybrid functionals based on energy differences of states of different multiplicity
3. Density Functional Theory Calculations for Spin Crossover Complexes
4. Free Energy of Spin-Crossover Complexes Calculated with Density Functional Methods
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