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Pitfalls on evaluating pair exchange interactions for modelling molecule-based magnetism

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Human know-how is crucial to cross-examine and challenge computations before trusting any result for modelling magnetic properties in molecule-based materials. Click to show full abstract

Human know-how is crucial to cross-examine and challenge computations before trusting any result for modelling magnetic properties in molecule-based materials.

Keywords: pair exchange; molecule based; evaluating pair; pitfalls evaluating; exchange interactions; interactions modelling

Journal Title: Journal of Materials Chemistry C
Year Published: 2021

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