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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
30-Oct-2023 | alpha-_W18O54(PO4)2__6-_BP86_no_TZP_no | Jacobs, Jake | AMS; 2021.106; r99350 | Frequencies | BP86 | - | -668.726960; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-19 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -449.073215; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-16 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -470.756281; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-17 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -477.546431; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-15 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -444.246339; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-18 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -434.112633; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-20 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -498.337356; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-1 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -370.088622; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-17 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -523.995727; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-16 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -517.513243; eV |
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