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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): 101 to 120 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1089 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.24985667; eV | |||
 | 9-Apr-2025 | /clean surface_109 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78257496; eV | |||
 | 9-Apr-2025 | /clean surface_1090 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.61619707; eV | |||
 | 9-Apr-2025 | /clean surface_1091 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.52016912; eV | |||
 | 9-Apr-2025 | /clean surface_1092 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.86728732; eV | |||
 | 9-Apr-2025 | /clean surface_1093 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.30571826; eV | |||
 | 9-Apr-2025 | /clean surface_1094 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.27066107; eV | |||
 | 9-Apr-2025 | /clean surface_1095 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.76498030; eV | |||
 | 9-Apr-2025 | /clean surface_1096 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.05228376; eV | |||
 | 9-Apr-2025 | /clean surface_1097 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.01128442; eV | |||
 | 9-Apr-2025 | /clean surface_1098 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.98982878; eV | |||
 | 9-Apr-2025 | /clean surface_1099 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.37109837; eV | |||
 | 9-Apr-2025 | /clean surface_11 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.04239140; eV | |||
 | 9-Apr-2025 | /clean surface_110 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.30995446; eV | |||
 | 9-Apr-2025 | /clean surface_1100 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.25104709; eV | |||
 | 9-Apr-2025 | /clean surface_1101 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.08003768; eV | |||
 | 9-Apr-2025 | /clean surface_1102 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.63114530; eV | |||
 | 9-Apr-2025 | /clean surface_1103 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.13392757; eV | |||
 | 9-Apr-2025 | /clean surface_1104 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.76525361; eV | |||
 | 9-Apr-2025 | /clean surface_1105 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.36361635; eV |
Collection's Items (Sorted by Submit Date in Descending order): 101 to 120 of 4380
