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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Jan-2023 | AA_Pt4_COH | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complex | Geometry optimization | DFT | - | -630.38806979; eV | |||
 | 5-Jan-2023 | AA_Pt4_CHO | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 02 2017 14:43:08) complex | Geometry optimization | DFT | - | -631.04883030; eV | |||
 | 5-Jan-2023 | AA_Pt4_CH2O | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complex | Geometry optimization | DFT | - | -634.61414291; eV | |||
 | 5-Jan-2023 | AA_Pt4_CH3OH | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complex | Geometry optimization | DFT | - | -641.75138893; eV | |||
 | 5-Jan-2023 | AA_Pt4_H | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 08:52:35) complex | Geometry optimization | DFT | - | -614.35564304; eV | |||
 | 5-Jan-2023 | AA_Pt4_CH2OH | Garcia, Ricardo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:34:00) complex | Geometry optimization | DFT | - | -638.33227983; eV |
Results 1-6 of 6 (Search time: 0.001 seconds).