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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jan-2023 | Mo2O2S2-L3_cis_1H_NMR_conf3 | Buils, Jordi | AMS; 2021.101; r94406 | Single point NMR | BP86 | TZP | -393.735866; eV | |||
 | 24-Jan-2023 | Mo2O2S2-L3_trans_1H_NMR_conf1 | Buils, Jordi | AMS; 2021.101; r94406 | Single point NMR | BP86 | TZP | -393.420732; eV |
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