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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): 1121 to 1140 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_223 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07034080; eV | |||
 | 9-Apr-2025 | /clean surface_224 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.19120339; eV | |||
 | 9-Apr-2025 | /clean surface_225 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.97208200; eV | |||
 | 9-Apr-2025 | /clean surface_226 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.29366753; eV | |||
 | 9-Apr-2025 | /clean surface_227 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.85937811; eV | |||
 | 9-Apr-2025 | /clean surface_228 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.61659978; eV | |||
 | 9-Apr-2025 | /clean surface_229 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78505559; eV | |||
 | 9-Apr-2025 | /clean surface_23 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33181311; eV | |||
 | 9-Apr-2025 | /clean surface_230 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.13176376; eV | |||
 | 9-Apr-2025 | /clean surface_231 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.45861813; eV | |||
 | 9-Apr-2025 | /clean surface_232 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.92845697; eV | |||
 | 9-Apr-2025 | /clean surface_233 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.70622919; eV | |||
 | 9-Apr-2025 | /clean surface_234 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89636838; eV | |||
 | 9-Apr-2025 | /clean surface_235 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.62559201; eV | |||
 | 9-Apr-2025 | /clean surface_236 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.89932207; eV | |||
 | 9-Apr-2025 | /clean surface_237 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.94447943; eV | |||
 | 9-Apr-2025 | /clean surface_238 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.18154349; eV | |||
 | 9-Apr-2025 | /clean surface_239 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.56087309; eV | |||
 | 9-Apr-2025 | /clean surface_24 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.96823258; eV | |||
 | 9-Apr-2025 | /clean surface_240 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.24535705; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1121 to 1140 of 4380
