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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): 2201 to 2220 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_1196 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.93508212; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1197 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.66954899; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1198 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -426.54444231; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1199 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -427.21810487; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_12 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.14959661; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_120 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.49231107; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1200 | Song, Haohong | vasp; 6.2.1; 16May21 (build Jun 30 2023 17:28:47) complex | Single point | DFT | - | -425.98509136; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1201 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.23982533; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1202 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.03138937; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1203 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.03740005; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1204 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.70715797; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1205 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.24768824; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1206 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.22355609; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1207 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.97638542; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1208 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.58494687; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1209 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.65530262; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_121 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.77754390; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1210 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.20189442; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1211 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.61258767; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1212 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.95942235; eV |
Collection's Items (Sorted by Submit Date in Descending order): 2201 to 2220 of 4380
