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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): 161 to 180 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_1142 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.55399393; eV | |||
 | 9-Apr-2025 | /clean surface_1143 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.77682112; eV | |||
 | 9-Apr-2025 | /clean surface_1144 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.66534721; eV | |||
 | 9-Apr-2025 | /clean surface_1145 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.88413129; eV | |||
 | 9-Apr-2025 | /clean surface_1146 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.17991993; eV | |||
 | 9-Apr-2025 | /clean surface_1147 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.23824912; eV | |||
 | 9-Apr-2025 | /clean surface_1148 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.59593637; eV | |||
 | 9-Apr-2025 | /clean surface_1149 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -421.85604818; eV | |||
 | 9-Apr-2025 | /clean surface_115 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.35940659; eV | |||
 | 9-Apr-2025 | /clean surface_1150 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.72838349; eV | |||
 | 9-Apr-2025 | /clean surface_1151 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -423.09416175; eV | |||
 | 9-Apr-2025 | /clean surface_1152 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.22574848; eV | |||
 | 9-Apr-2025 | /clean surface_1153 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.15696160; eV | |||
 | 9-Apr-2025 | /clean surface_1154 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.14528292; eV | |||
 | 9-Apr-2025 | /clean surface_1155 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.33617589; eV | |||
 | 9-Apr-2025 | /clean surface_1156 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.19159832; eV | |||
 | 9-Apr-2025 | /clean surface_1157 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.33110215; eV | |||
 | 9-Apr-2025 | /clean surface_1158 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.98276705; eV | |||
 | 9-Apr-2025 | /clean surface_1159 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -422.40533671; eV | |||
 | 9-Apr-2025 | /clean surface_116 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.01417930; eV |
Collection's Items (Sorted by Submit Date in Descending order): 161 to 180 of 4380
