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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
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-19 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -495.621370; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-16 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -517.513243; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-18 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -480.669877; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-20 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -544.867011; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-7 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -369.077814; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-11 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -412.739872; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-5 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -405.878427; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-6 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -441.393543; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-4 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -356.554308; eV |
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