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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): 1541 to 1560 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_601 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.14316943; eV | |||
 | 9-Apr-2025 | /clean surface_602 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.47857508; eV | |||
 | 9-Apr-2025 | /clean surface_603 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.09244368; eV | |||
 | 9-Apr-2025 | /clean surface_604 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.57164953; eV | |||
 | 9-Apr-2025 | /clean surface_605 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.18623897; eV | |||
 | 9-Apr-2025 | /clean surface_606 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.98395049; eV | |||
 | 9-Apr-2025 | /clean surface_607 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.02512254; eV | |||
 | 9-Apr-2025 | /clean surface_608 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07932047; eV | |||
 | 9-Apr-2025 | /clean surface_609 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.72705635; eV | |||
 | 9-Apr-2025 | /clean surface_61 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.34493287; eV | |||
 | 9-Apr-2025 | /clean surface_610 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.27145519; eV | |||
 | 9-Apr-2025 | /clean surface_611 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.48115109; eV | |||
 | 9-Apr-2025 | /clean surface_612 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.78204551; eV | |||
 | 9-Apr-2025 | /clean surface_613 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.47051216; eV | |||
 | 9-Apr-2025 | /clean surface_614 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.95530708; eV | |||
 | 9-Apr-2025 | /clean surface_615 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.92734648; eV | |||
 | 9-Apr-2025 | /clean surface_616 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.06525448; eV | |||
 | 9-Apr-2025 | /clean surface_617 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.69619412; eV | |||
 | 9-Apr-2025 | /clean surface_618 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09701913; eV | |||
 | 9-Apr-2025 | /clean surface_619 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.05380548; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1541 to 1560 of 4380
