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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): 2221 to 2240 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_1213 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.69268158; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1214 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.40437899; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1215 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.72791793; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1216 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.34487356; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1217 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.74818446; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1218 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.15216555; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1219 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.58094590; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_122 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.36858347; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1220 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.59442958; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1221 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.45697979; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1222 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.76799843; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1223 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.64276295; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1224 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.55066022; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1225 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.39275827; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1226 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.03870466; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1227 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.67212218; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1228 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.53211642; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1229 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.02449982; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_123 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.51511118; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1230 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.45928347; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2221 to 2240 of 4380
