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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2023 | x-ray_packing | Nicaso, Marco | AMS; 2021.101; r94406 | Single point | BP86 | DZP; TZP | -1570.956042; eV | |||
 | 7-Nov-2023 | graphene_in_methanol | Nicaso, Marco | AMS; 2021.101; r94406 | Single point | BP86 | DZP | -1649.672743; eV | |||
 | 7-Nov-2023 | graphene_gas_phase | Nicaso, Marco | AMS; 2021.101; r94406 | Single point | BP86 | DZP | -1647.307044; eV | |||
 | 22-Jan-2024 | Rutda_10melemsCN_abs | Nicaso, Marco | AMS; 2021.101; r94406 | Single point | Becke88 PW91c SAOP | TZP | -1651.288570; eV | |||
| 22-Jan-2024 | Rutda_abs | Nicaso, Marco | AMS; 2021.101; r94406 | Single point | Becke88 PW91c SAOP | TZP | -378.738980; eV | |||
| 22-Jan-2024 | CN_abs | Nicaso, Marco | AMS; 2021.101; r94406 | Single point | Becke88 PW91c SAOP | TZP | -1273.915693; eV |
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