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DFT-steric-based energy decomposition analysis of intermolecular interactions

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https://hal.archives-ouvertes.fr/hal-02126797
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:01:19 PM
Last modification on : Friday, May 7, 2021 - 7:44:04 PM

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Dong Fang, Jean-Philip Piquemal, Shubin Liu, G. Andrés Cisneros. DFT-steric-based energy decomposition analysis of intermolecular interactions. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2014, 133 (5), ⟨10.1007/s00214-014-1484-7⟩. ⟨hal-02126797⟩

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