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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): 2121 to 2140 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_1123 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.97316396; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1124 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.72694154; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1125 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.48588091; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1126 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.06009974; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1127 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.26430563; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1128 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.24193017; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1129 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.55569937; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_113 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.80653465; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1130 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.91052731; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1131 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.51907815; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1132 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.44870550; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1133 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.97911988; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1134 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.46382164; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1135 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.93985193; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1136 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.42559697; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1137 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.72489511; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1138 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.83118113; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1139 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.02940242; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_114 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.35478199; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1140 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.43702963; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2121 to 2140 of 4380
