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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): 1921 to 1940 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_944 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.34935825; eV | |||
 | 9-Apr-2025 | /clean surface_945 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.13595663; eV | |||
 | 9-Apr-2025 | /clean surface_946 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.56617129; eV | |||
 | 9-Apr-2025 | /clean surface_947 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.00708358; eV | |||
 | 9-Apr-2025 | /clean surface_948 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.41850048; eV | |||
 | 9-Apr-2025 | /clean surface_949 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.02323176; eV | |||
 | 9-Apr-2025 | /clean surface_95 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.18447505; eV | |||
 | 9-Apr-2025 | /clean surface_950 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.53361297; eV | |||
 | 9-Apr-2025 | /clean surface_951 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.78840231; eV | |||
 | 9-Apr-2025 | /clean surface_952 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.67938059; eV | |||
 | 9-Apr-2025 | /clean surface_953 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66678384; eV | |||
 | 9-Apr-2025 | /clean surface_954 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.80146018; eV | |||
 | 9-Apr-2025 | /clean surface_955 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.68964578; eV | |||
 | 9-Apr-2025 | /clean surface_956 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.80798815; eV | |||
 | 9-Apr-2025 | /clean surface_957 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.79078153; eV | |||
 | 9-Apr-2025 | /clean surface_958 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.43147346; eV | |||
 | 9-Apr-2025 | /clean surface_959 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.69767149; eV | |||
 | 9-Apr-2025 | /clean surface_96 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.08770159; eV | |||
 | 9-Apr-2025 | /clean surface_960 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.62500322; eV | |||
 | 9-Apr-2025 | /clean surface_961 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.50237342; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1921 to 1940 of 4380
