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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): 241 to 260 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1216 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.23090179; eV | |||
 | 9-Apr-2025 | /clean surface_1217 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.74255785; eV | |||
 | 9-Apr-2025 | /clean surface_1218 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.26609206; eV | |||
 | 9-Apr-2025 | /clean surface_1219 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.66189395; eV | |||
 | 9-Apr-2025 | /clean surface_122 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.50619268; eV | |||
 | 9-Apr-2025 | /clean surface_1220 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.35410017; eV | |||
 | 9-Apr-2025 | /clean surface_1221 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.47963665; eV | |||
 | 9-Apr-2025 | /clean surface_1222 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.93891791; eV | |||
 | 9-Apr-2025 | /clean surface_1223 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.71535303; eV | |||
 | 9-Apr-2025 | /clean surface_1224 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.88672935; eV | |||
 | 9-Apr-2025 | /clean surface_1225 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.62941336; eV | |||
 | 9-Apr-2025 | /clean surface_1226 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.76781051; eV | |||
 | 9-Apr-2025 | /clean surface_1227 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.94963807; eV | |||
 | 9-Apr-2025 | /clean surface_1228 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.71011458; eV | |||
 | 9-Apr-2025 | /clean surface_1229 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.78437835; eV | |||
 | 9-Apr-2025 | /clean surface_123 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.83405296; eV | |||
 | 9-Apr-2025 | /clean surface_1230 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.59252087; eV | |||
 | 9-Apr-2025 | /clean surface_1232 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.14128890; eV | |||
 | 9-Apr-2025 | /clean surface_1233 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.92424480; eV | |||
 | 9-Apr-2025 | /clean surface_1234 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.69499142; eV |
Collection's Items (Sorted by Submit Date in Descending order): 241 to 260 of 4380
