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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): 2261 to 2280 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_125 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.77135424; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1250 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.25928804; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1251 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.05874881; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1252 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.80459157; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1253 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.13907934; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1254 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.99976112; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1255 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.71284970; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1256 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.70159266; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1257 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.11573067; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1258 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.38473935; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1259 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.27643174; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_126 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.21436592; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1260 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.91354800; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1261 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.45955508; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1262 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.65003735; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1263 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.52140456; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1264 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.27307938; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1265 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.71921229; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1266 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.84755568; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1267 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.47722261; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2261 to 2280 of 4380
