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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): 1101 to 1120 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_205 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.64325069; eV | |||
 | 9-Apr-2025 | /clean surface_206 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.10169754; eV | |||
 | 9-Apr-2025 | /clean surface_207 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.37059585; eV | |||
 | 9-Apr-2025 | /clean surface_208 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.76526488; eV | |||
 | 9-Apr-2025 | /clean surface_209 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.41606960; eV | |||
 | 9-Apr-2025 | /clean surface_21 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.72545064; eV | |||
 | 9-Apr-2025 | /clean surface_210 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.60374802; eV | |||
 | 9-Apr-2025 | /clean surface_211 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15765568; eV | |||
 | 9-Apr-2025 | /clean surface_212 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.70260819; eV | |||
 | 9-Apr-2025 | /clean surface_213 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.02464899; eV | |||
 | 9-Apr-2025 | /clean surface_214 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.42438856; eV | |||
 | 9-Apr-2025 | /clean surface_215 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.43334278; eV | |||
 | 9-Apr-2025 | /clean surface_216 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.99142563; eV | |||
 | 9-Apr-2025 | /clean surface_217 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.61411532; eV | |||
 | 9-Apr-2025 | /clean surface_218 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.80345893; eV | |||
 | 9-Apr-2025 | /clean surface_219 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.53294778; eV | |||
 | 9-Apr-2025 | /clean surface_22 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15215162; eV | |||
 | 9-Apr-2025 | /clean surface_220 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.96496318; eV | |||
 | 9-Apr-2025 | /clean surface_221 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.11389010; eV | |||
 | 9-Apr-2025 | /clean surface_222 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91906083; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1101 to 1120 of 4380
