Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes
Author:
Affiliation:
1. Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom
2. Chimie ParisTech, PSL Research University, CNRS, Institut de Recherche de Chimie Paris (IRCP), 11 rue P. et M. Curie, F-75005 Paris, France
Funder
Agence Nationale de la Recherche
H2020 European Research Council
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5019641
Reference31 articles.
1. Understanding the reactivity of transition metal complexes involving multiple spin states
2. Iron Catalysis in Organic Synthesis
3. Structure:function relationships in molecular spin-crossover complexes
4. Spin Crossover in Transition Metal Compounds III
5. Resolving Transition Metal Chemical Space: Feature Selection for Machine Learning and Structure–Property Relationships
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