Fast, accurate enthalpy differences in spin crossover crystals from DFT+U
Author:
Affiliation:
1. School of Mathematics and Physics, University of Queensland, Saint Lucia, Queensland 4072, Australia
Funder
Australian Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0020706
Reference59 articles.
1. Spin crossover in iron(II)-containing complex compounds under a pressure (Review Article)
2. Perspectives in Supramolecular Chemistry
3. Coupled electron-transfer and spin-exchange reactions
4. Accurate Computed Enthalpies of Spin Crossover in Iron and Cobalt Complexes
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