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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): 221 to 240 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1198 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.36662875; eV | |||
 | 9-Apr-2025 | /clean surface_1199 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44946580; eV | |||
 | 9-Apr-2025 | /clean surface_12 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.44341786; eV | |||
 | 9-Apr-2025 | /clean surface_120 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36325806; eV | |||
 | 9-Apr-2025 | /clean surface_1200 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.20862828; eV | |||
 | 9-Apr-2025 | /clean surface_1201 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.09758910; eV | |||
 | 9-Apr-2025 | /clean surface_1202 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.39688479; eV | |||
 | 9-Apr-2025 | /clean surface_1203 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.43577570; eV | |||
 | 9-Apr-2025 | /clean surface_1204 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.88098866; eV | |||
 | 9-Apr-2025 | /clean surface_1205 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.05701611; eV | |||
 | 9-Apr-2025 | /clean surface_1206 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.21008547; eV | |||
 | 9-Apr-2025 | /clean surface_1207 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.90786122; eV | |||
 | 9-Apr-2025 | /clean surface_1208 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.55408817; eV | |||
 | 9-Apr-2025 | /clean surface_1209 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.59041216; eV | |||
 | 9-Apr-2025 | /clean surface_121 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.17196004; eV | |||
 | 9-Apr-2025 | /clean surface_1211 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.82527255; eV | |||
 | 9-Apr-2025 | /clean surface_1212 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.36519513; eV | |||
 | 9-Apr-2025 | /clean surface_1213 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.26853357; eV | |||
 | 9-Apr-2025 | /clean surface_1214 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.29014720; eV | |||
 | 9-Apr-2025 | /clean surface_1215 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.80669422; eV |
Collection's Items (Sorted by Submit Date in Descending order): 221 to 240 of 4380
