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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): 2301 to 2320 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_1286 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.66160763; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1287 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20189447; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1288 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.36601687; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1289 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.96040655; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_129 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.21387578; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1290 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.17649445; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1291 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.01827904; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1292 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.40746931; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1293 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59273235; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1294 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.70141240; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1295 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.44963016; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1296 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.45706637; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1297 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.30955116; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1298 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59855124; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1299 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.12536513; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_13 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.94755820; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_130 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.23437152; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1300 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.49986372; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1301 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.26906684; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1302 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.98291322; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2301 to 2320 of 4380
