Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density

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https://hal.univ-lorraine.fr/hal-02196465
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Submitted on : Sunday, July 28, 2019 - 6:45:54 PM
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Leonardo dos Santos, Alessandro Genoni, Piero Macchi. Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density. Acta Crystallographica Section A Foundations and Advances, International Union of Crystallography, 2014, 70 (6), pp.532-551. ⟨10.1107/S2053273314019652⟩. ⟨hal-02196465⟩

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