QM/ELMO Method: a Fully Quantum Mechanical Embedding Approach for Macromolecules

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https://hal.univ-lorraine.fr/hal-02324013
Contributor : Alessandro Genoni <>
Submitted on : Monday, October 21, 2019 - 6:30:13 PM
Last modification on : Tuesday, October 22, 2019 - 10:17:11 AM

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Giovanni Macetti, Alessandro Genoni. QM/ELMO Method: a Fully Quantum Mechanical Embedding Approach for Macromolecules. Journal of Physical Chemistry A, American Chemical Society, 2019, ⟨10.1021/acs.jpca.9b08882⟩. ⟨hal-02324013⟩

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