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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): 261 to 280 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1235 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.28414523; eV | |||
 | 9-Apr-2025 | /clean surface_1236 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.48921025; eV | |||
 | 9-Apr-2025 | /clean surface_1237 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.30933314; eV | |||
 | 9-Apr-2025 | /clean surface_1238 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.91203769; eV | |||
 | 9-Apr-2025 | /clean surface_1239 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.08903644; eV | |||
 | 9-Apr-2025 | /clean surface_124 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.80550443; eV | |||
 | 9-Apr-2025 | /clean surface_1240 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.92267867; eV | |||
 | 9-Apr-2025 | /clean surface_1241 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.99883197; eV | |||
 | 9-Apr-2025 | /clean surface_1242 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.12256914; eV | |||
 | 9-Apr-2025 | /clean surface_1243 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97723875; eV | |||
 | 9-Apr-2025 | /clean surface_1244 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.62996597; eV | |||
 | 9-Apr-2025 | /clean surface_1245 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.45085286; eV | |||
 | 9-Apr-2025 | /clean surface_1246 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.87737732; eV | |||
 | 9-Apr-2025 | /clean surface_1247 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.25304058; eV | |||
 | 9-Apr-2025 | /clean surface_1248 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.31097769; eV | |||
 | 9-Apr-2025 | /clean surface_1249 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50282440; eV | |||
 | 9-Apr-2025 | /clean surface_125 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.82007073; eV | |||
 | 9-Apr-2025 | /clean surface_1250 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.44410675; eV | |||
 | 9-Apr-2025 | /clean surface_1251 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.23623428; eV | |||
 | 9-Apr-2025 | /clean surface_1252 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.31085784; eV |
Collection's Items (Sorted by Submit Date in Descending order): 261 to 280 of 4380
