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Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation

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https://hal-univ-lyon1.archives-ouvertes.fr/hal-02305590
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Submitted on : Friday, October 4, 2019 - 12:43:38 PM
Last modification on : Thursday, April 2, 2020 - 10:48:05 AM

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Rafael Sarmiento-Perez, Silvana Botti, Miguel A. L. Marques. Optimized Exchange and Correlation Semilocal Functional for the Calculation of Energies of Formation. Journal of Chemical Theory and Computation, American Chemical Society, 2015, 11, pp.3844-3850. ⟨10.1021/acs.jctc.5b00529⟩. ⟨hal-02305590⟩

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