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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): 281 to 300 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1253 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.26095423; eV | |||
 | 9-Apr-2025 | /clean surface_1254 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.18104063; eV | |||
 | 9-Apr-2025 | /clean surface_1255 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.58786625; eV | |||
 | 9-Apr-2025 | /clean surface_1256 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.78334867; eV | |||
 | 9-Apr-2025 | /clean surface_1257 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.14103722; eV | |||
 | 9-Apr-2025 | /clean surface_1258 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.50927792; eV | |||
 | 9-Apr-2025 | /clean surface_1259 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.48530365; eV | |||
 | 9-Apr-2025 | /clean surface_126 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.45601360; eV | |||
 | 9-Apr-2025 | /clean surface_1260 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.15680376; eV | |||
 | 9-Apr-2025 | /clean surface_1261 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.65435252; eV | |||
 | 9-Apr-2025 | /clean surface_1262 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -420.35702594; eV | |||
 | 9-Apr-2025 | /clean surface_1263 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.49806872; eV | |||
 | 9-Apr-2025 | /clean surface_1264 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.13117989; eV | |||
 | 9-Apr-2025 | /clean surface_1265 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.63880523; eV | |||
 | 9-Apr-2025 | /clean surface_1266 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.56445676; eV | |||
 | 9-Apr-2025 | /clean surface_1267 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.59787105; eV | |||
 | 9-Apr-2025 | /clean surface_1268 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09774546; eV | |||
 | 9-Apr-2025 | /clean surface_1269 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.90436195; eV | |||
 | 9-Apr-2025 | /clean surface_127 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.34839837; eV | |||
 | 9-Apr-2025 | /clean surface_1270 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.81013167; eV |
Collection's Items (Sorted by Submit Date in Descending order): 281 to 300 of 4380
