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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): 3081 to 3100 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_199 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.88781523; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1990 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.12453712; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1991 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.44483529; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1992 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.31570722; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1993 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.97962618; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1994 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.12043827; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1995 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.33460200; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1996 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.73579056; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1997 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.04382636; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1998 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.45767884; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_1999 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -427.73294102; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_2 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.62546033; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_20 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.24074561; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_200 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.92842958; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_2000 | Song, Haohong | vasp; 6.4.1; 05Apr23 (build May 18 2023 13:19:41) complex | Single point | DFT | - | -426.91383098; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_201 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -425.77112459; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_202 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.04509595; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_203 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -428.20139048; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_204 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -427.02015041; eV | |||
 | 9-Apr-2025 | /H_surface H_surface_205 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -426.38202932; eV |
Collection's Items (Sorted by Submit Date in Descending order): 3081 to 3100 of 4380
