DFT-steric-based energy decomposition analysis of intermolecular interactions

Dong Fang Jean-Philip Piquemal 1 Shubin Liu 2 G. Andrés Cisneros 3
1 LCT - Laboratoire de chimie théorique
2 University of North Carolina at Chapel Hill
3 Wayne State University [Detroit]
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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 : Wednesday, May 15, 2019 - 11:12:04 AM

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INC-CNRS | LCT | SORBONNE-UNIVERSITE | SU-SCIENCES

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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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