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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
29-Jun-2023 | /Gold_complexes GreenPhos-9 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -416.845222; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-10 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -468.697021; eV | ||||
29-Jun-2023 | /Gold_complexes GreenPhos-8 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -383.947670; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-12 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -523.730023; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-13 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -534.070460; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-11 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -459.172989; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-10 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -515.165623; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-14 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -523.671559; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-15 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -490.732928; eV | ||||
29-Jun-2023 | /Nickel_complexes GreenPhos-9 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -463.274261; eV |
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