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Inorganic Chemistry

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spin state

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2 results in Keywords: spin state

Theoretical and Computational Chemistry

Predicting Spin States of Iron Porphyrins with DFT Methods Including Crystal Packing Effects and Thermodynamic Corrections

Version 2 posted 29 March 2024

301

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Inorganic Chemistry

Revisiting the Electronic Structure of Cobalt-Porphyrin Nitrene and Carbene Radicals with NEVPT2-CASSCF Calculations: Doublet versus Quartet Ground States

Nicolaas P. van Leest, Bas de Bruin

Version 1 posted 22 March 2021

340

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