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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): 2321 to 2340 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_1303 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.42130212; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1304 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.05810263; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1305 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.24958603; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1306 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.26759499; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1307 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.86105037; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1308 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.55125847; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1309 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.02754471; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_131 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.69482120; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1310 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.61363730; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1311 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.87231531; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1312 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.32133888; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1313 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.04826579; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1314 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.61265339; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1315 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.14569379; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1316 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.53926854; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1317 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.12499934; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1318 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.04961582; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1319 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.72097575; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_132 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.42962426; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1320 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.23820821; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2321 to 2340 of 4380
