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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): 1 to 20 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.22375600; eV | |||
 | 9-Apr-2025 | /clean surface_10 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.31216643; eV | |||
 | 9-Apr-2025 | /clean surface_100 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.32186894; eV | |||
 | 9-Apr-2025 | /clean surface_1000 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.92117717; eV | |||
 | 9-Apr-2025 | /clean surface_1001 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.87215936; eV | |||
 | 9-Apr-2025 | /clean surface_1002 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.69141215; eV | |||
 | 9-Apr-2025 | /clean surface_1003 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.96150393; eV | |||
 | 9-Apr-2025 | /clean surface_1004 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.08521134; eV | |||
 | 9-Apr-2025 | /clean surface_1005 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.81565863; eV | |||
 | 9-Apr-2025 | /clean surface_1006 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.15440319; eV | |||
 | 9-Apr-2025 | /clean surface_1007 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.90434947; eV | |||
 | 9-Apr-2025 | /clean surface_1008 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.94841492; eV | |||
 | 9-Apr-2025 | /clean surface_1009 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.35839848; eV | |||
 | 9-Apr-2025 | /clean surface_101 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.49441672; eV | |||
 | 9-Apr-2025 | /clean surface_1010 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.55830422; eV | |||
 | 9-Apr-2025 | /clean surface_1011 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.97410800; eV | |||
 | 9-Apr-2025 | /clean surface_1012 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.63641268; eV | |||
 | 9-Apr-2025 | /clean surface_1013 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.87716266; eV | |||
 | 9-Apr-2025 | /clean surface_1014 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.71610679; eV | |||
 | 9-Apr-2025 | /clean surface_1015 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.00117121; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1 to 20 of 4380
