X-ray Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New Technique

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https://hal.univ-lorraine.fr/hal-02196464
Contributor : Alessandro Genoni <>
Submitted on : Sunday, July 28, 2019 - 6:44:22 PM
Last modification on : Monday, July 29, 2019 - 1:16:36 AM

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Alessandro Genoni. X-ray Constrained Extremely Localized Molecular Orbitals: Theory and Critical Assessment of the New Technique. Journal of Chemical Theory and Computation, American Chemical Society, 2013, 9 (7), pp.3004-3019. ⟨10.1021/ct400293m⟩. ⟨hal-02196464⟩

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