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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): 2421 to 2440 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_1394 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.90144451; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1395 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.69064759; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1396 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.55891809; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1397 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.05152020; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1398 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.20509089; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1399 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.78422283; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_14 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.97829149; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_140 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.12012919; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1400 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.57967964; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1401 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.65818975; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1402 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.18680057; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1403 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.98604864; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1404 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.53230965; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1405 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.34956235; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1406 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.35761313; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1407 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.38430529; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1408 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.14166238; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1409 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.24260759; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_141 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.20300112; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1410 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.48748898; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2421 to 2440 of 4380
