Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compounds - Archive ouverte HAL
Article Dans Une Revue Physical Chemistry Chemical Physics Année : 2015

Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compounds

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Chimie théorique et/ou physique

Nicolas Elefantis  : Connectez-vous pour contacter le contributeur

https://hal.science/hal-01236256

Soumis le : mardi 1 décembre 2015-14:57:55

Dernière modification le : mercredi 24 avril 2024-13:30:03

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hal-01236256 , version 1 (01-12-2015)

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Etienne Mangaud, Aurelien de La Lande, Christoph Meier, Michele Desouter-Lecomte. Electron transfer within a reaction path model calibrated by constrained DFT calculations: application to mixed-valence organic compounds. Physical Chemistry Chemical Physics, 2015, 17 (46), pp.30889-30903. ⟨10.1039/c5cp01194a⟩. ⟨hal-01236256⟩

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