Multiconfiguration Pair-Density Functional Theory Calculations of Iron(II) Porphyrin: Effects of Hybrid Pair-Density Functionals and Expanded RAS and DMRG Active Spaces on Spin-State Orderings
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| Description | scientific article published in 2022 |
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author: Chen Zhou Gautam D Stroscio Donald Truhlar Laura Gagliardi |
| Publication date | June 8, 2022 |
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