Benchmarking quantum chemistry methods for spin-state energetics of iron complexes against quantitative experimental data

Phys. Chem. Chem. Phys., 2019, Advance Article DOI: 10.1039/C9CP00105K, PaperMariusz Rado ń Wave function and DFT methods tested against quantitative, experimentally-derived benchmark data of relative spin-state energetics for iron complexes. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - February 19, 2019 Category: Chemistry Authors: Mariusz Rado ń Source Type: research