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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): 2081 to 2100 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_1088 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.50252293; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1089 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.03976689; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_109 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.79664688; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1090 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.90900045; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1091 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.41213499; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1092 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.78480078; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1093 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.12940767; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1094 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.99297034; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1095 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.92438457; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1096 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.26974252; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1097 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.65591071; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1098 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.89818707; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1099 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.20737523; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_11 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05571855; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_110 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.96020514; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1100 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.42547329; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1101 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.81246038; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1102 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.48088705; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1103 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.37860903; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1104 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.80077382; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2081 to 2100 of 4380
