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Supplementary Material

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posted on 2024-06-05, 11:55 authored by Feng Yu
The supplementary material contains noncovalent interaction energy curves obtained with the tested Minnesota density functionals using the aug-cc-pVQZ basis set and the (500,974) grid for (CH4)2, noncovalent interaction energy curves obtained with the revM11 functional using the aug-cc-pVQZ basis set and the (99,590) grid for (CH4)2, and noncovalent interaction energy curves computed with the MN15 and CF22D functionals using the aug-cc-pVQZ basis set and the (99,590) grid for (CH4)2.

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    Journal of Chemical Physics

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