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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): 2181 to 2200 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /H_surface H_surface_1178 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.44024121; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1179 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.66813683; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_118 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.62822531; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1180 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.66923709; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1181 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.41557942; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1182 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.64690060; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1183 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.18998354; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1184 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.41053624; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1185 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.76167594; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1186 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.40595950; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1187 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.20473129; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1188 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.14348458; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1189 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.00109775; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_119 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.43735254; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1190 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.34914084; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1191 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.09293884; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1192 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.83673110; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1193 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.97315200; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1194 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.34240244; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1195 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.85598483; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2181 to 2200 of 4380
