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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Sep-2023 | WD-PO4-PBE-QZ4P-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -731.188923; eV | |||
 | 26-Sep-2023 | WD-PO4-PBE-LFC-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -708.702922; eV | |||
 | 26-Sep-2023 | WD-PO4-PBE-DZP-OPT | Malcolm, Daniel | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -719.817360; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium TPA3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -1103.799944; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium TEA3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -906.990844; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium TMA3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -710.117003; eV | |||
 | 30-Oct-2023 | /Explicit_Counterions/Alkyl_Ammonium NH4_3_PW12O40_ | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -515.721025; eV | |||
 | 30-Oct-2023 | /Anionic_Model _B-PW9O34_9- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -396.982598; eV | |||
 | 30-Oct-2023 | /Anionic_Model _A-PW9O34_9- | Thompson, Jake | AMS; 2021.106; r99350 | Geometry optimization | PBE | - | -397.754001; eV | |||
 | 30-Oct-2023 | /Anionic_Model _PW11O39_7- | Thompson, Jake | AMS; 2020.102; r90821 | Geometry optimization | PBE | - | -452.646556; eV |
Results 11-20 of 107 (Search time: 0.001 seconds).