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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): 3101 to 3120 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_206 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.54768868; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_207 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.29056862; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_208 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.33604045; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_209 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59244361; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_21 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.44514233; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_210 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.41481360; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_211 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.38180476; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_212 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.53425286; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_213 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.01017466; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_214 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.88020176; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_215 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.16018423; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_216 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.80637269; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_217 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.51141612; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_218 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.96889978; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_219 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.18841554; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_22 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.89963215; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_220 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.68761641; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_221 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.74723357; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_222 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.53845856; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_223 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.26753841; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3101 to 3120 of 4380
