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posted on 2025-04-29, 12:06 authored by Yuriy Rusakov, Irina Rusakova
Supplementary Material

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    DOI - Is supplement to <strong>An unusual way of augmenting one-electron basis sets: new aug-pecS-<em>n</em> (<em>n</em> = 1, 2) basis sets for H, C, N, and O atoms for NMR shielding constant calculations that require extra diffuse functions</strong>

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    Journal of Chemical Physics

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    aug-pecS-1aug-pecS-2augmentationNMR shielding constantsolvent corrections

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    CC BY 4.0

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