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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): 81 to 100 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1070 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.13230849; eV | |||
 | 9-Apr-2025 | /clean surface_1071 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.04857755; eV | |||
 | 9-Apr-2025 | /clean surface_1072 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.46413624; eV | |||
 | 9-Apr-2025 | /clean surface_1073 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.26725979; eV | |||
 | 9-Apr-2025 | /clean surface_1074 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.62924932; eV | |||
 | 9-Apr-2025 | /clean surface_1075 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.87065113; eV | |||
 | 9-Apr-2025 | /clean surface_1076 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -424.87987785; eV | |||
 | 9-Apr-2025 | /clean surface_1077 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.51904166; eV | |||
 | 9-Apr-2025 | /clean surface_1078 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.44613019; eV | |||
 | 9-Apr-2025 | /clean surface_1079 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.23576046; eV | |||
 | 9-Apr-2025 | /clean surface_108 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33481605; eV | |||
 | 9-Apr-2025 | /clean surface_1080 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.11903718; eV | |||
 | 9-Apr-2025 | /clean surface_1081 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.46345585; eV | |||
 | 9-Apr-2025 | /clean surface_1082 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.36150378; eV | |||
 | 9-Apr-2025 | /clean surface_1083 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.20892320; eV | |||
 | 9-Apr-2025 | /clean surface_1084 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.66456884; eV | |||
 | 9-Apr-2025 | /clean surface_1085 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.90265942; eV | |||
 | 9-Apr-2025 | /clean surface_1086 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.53569959; eV | |||
 | 9-Apr-2025 | /clean surface_1087 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.98960258; eV | |||
 | 9-Apr-2025 | /clean surface_1088 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.78443810; eV |
Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 4380
