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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): 121 to 140 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1106 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.90180276; eV | |||
 | 9-Apr-2025 | /clean surface_1107 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.88699470; eV | |||
 | 9-Apr-2025 | /clean surface_1108 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.15990554; eV | |||
 | 9-Apr-2025 | /clean surface_1109 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.47695848; eV | |||
 | 9-Apr-2025 | /clean surface_111 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67734185; eV | |||
 | 9-Apr-2025 | /clean surface_1110 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.48248568; eV | |||
 | 9-Apr-2025 | /clean surface_1111 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.89547093; eV | |||
 | 9-Apr-2025 | /clean surface_1112 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.21250582; eV | |||
 | 9-Apr-2025 | /clean surface_1113 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.36245328; eV | |||
 | 9-Apr-2025 | /clean surface_1114 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.72640558; eV | |||
 | 9-Apr-2025 | /clean surface_1115 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.43373469; eV | |||
 | 9-Apr-2025 | /clean surface_1116 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.64663026; eV | |||
 | 9-Apr-2025 | /clean surface_1117 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.58053498; eV | |||
 | 9-Apr-2025 | /clean surface_1118 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.12568781; eV | |||
 | 9-Apr-2025 | /clean surface_1119 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.49936021; eV | |||
 | 9-Apr-2025 | /clean surface_112 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01993389; eV | |||
 | 9-Apr-2025 | /clean surface_1120 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.68459474; eV | |||
 | 9-Apr-2025 | /clean surface_1121 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.44757489; eV | |||
 | 9-Apr-2025 | /clean surface_1122 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.33168644; eV | |||
 | 9-Apr-2025 | /clean surface_1123 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.21940096; eV |
Collection's Items (Sorted by Submit Date in Descending order): 121 to 140 of 4380
