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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): 2561 to 2580 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_152 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.58864297; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1520 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.97157209; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1521 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.38277074; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1522 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.91082422; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1523 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.82542713; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1524 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.87794675; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1525 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.30149041; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1526 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.82302272; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1527 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.15543439; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1528 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.41233368; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1529 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.55688158; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_153 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.18957928; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1530 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.00992020; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1531 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.60636438; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1532 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -425.94868259; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1533 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.02043923; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1534 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.40859344; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1535 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.64089127; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1536 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -428.07727444; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1537 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.01186377; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 4380
