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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): 421 to 440 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1380 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.47805096; eV | |||
 | 9-Apr-2025 | /clean surface_1382 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.88059394; eV | |||
 | 9-Apr-2025 | /clean surface_1383 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.24589364; eV | |||
 | 9-Apr-2025 | /clean surface_1384 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.56921024; eV | |||
 | 9-Apr-2025 | /clean surface_1385 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.79430688; eV | |||
 | 9-Apr-2025 | /clean surface_1386 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.84701974; eV | |||
 | 9-Apr-2025 | /clean surface_1387 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.02670892; eV | |||
 | 9-Apr-2025 | /clean surface_1389 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.94483202; eV | |||
 | 9-Apr-2025 | /clean surface_139 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.02135111; eV | |||
 | 9-Apr-2025 | /clean surface_1390 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.01931780; eV | |||
 | 9-Apr-2025 | /clean surface_1391 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.55383335; eV | |||
 | 9-Apr-2025 | /clean surface_1392 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.69522981; eV | |||
 | 9-Apr-2025 | /clean surface_1393 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.86572610; eV | |||
 | 9-Apr-2025 | /clean surface_1394 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.02665563; eV | |||
 | 9-Apr-2025 | /clean surface_1395 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.05449654; eV | |||
 | 9-Apr-2025 | /clean surface_1396 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.69479428; eV | |||
 | 9-Apr-2025 | /clean surface_1397 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.88680018; eV | |||
 | 9-Apr-2025 | /clean surface_1399 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.08099031; eV | |||
 | 9-Apr-2025 | /clean surface_14 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.83566097; eV | |||
 | 9-Apr-2025 | /clean surface_140 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.19746413; eV |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 4380
