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Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions

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https://hal.univ-lorraine.fr/hal-03276184
Contributor : Alessandro Genoni <>
Submitted on : Thursday, July 1, 2021 - 6:05:24 PM
Last modification on : Saturday, July 3, 2021 - 3:46:12 AM

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Giovanni Macetti, Alessandro Genoni. Three-Layer Multiscale Approach Based on Extremely Localized Molecular Orbitals to Investigate Enzyme Reactions. Journal of Physical Chemistry A, American Chemical Society, 2021, ⟨10.1021/acs.jpca.1c05040⟩. ⟨hal-03276184⟩

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