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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): 2101 to 2120 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_1105 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.43238810; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1106 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.28331543; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1107 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.70788857; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1108 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.40005773; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1109 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.50579952; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_111 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.77678014; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1110 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.40686127; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1111 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.68696552; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1112 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.89387525; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1113 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.26774412; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1114 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.48795290; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1115 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.39165252; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1116 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.72963098; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1117 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.42847746; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1118 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.14071737; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1119 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.41395483; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_112 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.40830869; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1120 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.43093893; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1121 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.22907161; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1122 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.20628879; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2101 to 2120 of 4380
