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. 2018 Mar 21;6:70. doi: 10.3389/fchem.2018.00070

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Copyright © 2018 Marcolongo, Zeida, Semelak, Foglia, Morzan, Estrin, González Lebrero and Scherlis.

This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) and the copyright owner are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.

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Convergence process for the spectrum of S₂NO⁻ in methanol, by averaging 110 different configurations. The global spectrum is calculated as $E (λ) = \frac{1}{N} \sum_{j = 1}^{N} e_{j} (λ)$ , where e_j(λ) represents the spectrum for a given geometry j.