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DOI: 10.19061/iochem-bd-6-522
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Collection's Items (Sorted by Submit Date in Descending order): 2001 to 2020 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1015 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.91456559; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1016 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.08501571; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1017 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.50093705; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1018 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.74656329; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1019 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.88259971; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_102 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.93155104; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1020 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.14928207; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1021 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.18117019; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1022 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.40670101; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1023 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.90712909; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1024 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.10577517; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1025 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.71501224; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1026 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.62513615; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1027 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.30082568; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1028 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.53505429; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1029 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.34637914; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_103 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.32216555; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1030 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.62726940; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1031 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.57776865; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1032 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.22381610; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2001 to 2020 of 4380
