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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): 2061 to 2080 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_107 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.49241324; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1070 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.15955705; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1071 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.65645256; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1072 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.73192289; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1073 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.26950746; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1074 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.86797863; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1075 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.59817659; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1076 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -428.58957342; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1077 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.40536782; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1078 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.75458709; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1079 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.20428889; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_108 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.50610440; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1080 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.16992402; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1081 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.43388775; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1082 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.19994971; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1083 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.38831795; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1084 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.51425650; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1085 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.56100188; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1086 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.40486166; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1087 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.53355811; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2061 to 2080 of 4380
