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Structure and spin‐state energetics of an iron porphyrin model: An assessment of theoretical methods |
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| Authors: | Damin A Scherlis Darío A Estrin |
| Institution: | Damián A. Scherlis,Darío A. Estrin |
| Abstract: | |
| Keywords: | spin‐state energetics DFT porphyrin hemoglobin B3LYP |