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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-17 | Castro, Abril C. | AMS; 2023.101; r111868 | Frequencies | BP86 | - | -477.546431; eV | ||||
7-May-2024 | /Water/Opt-freq Zn-L-2NCO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -259.661467; eV | ||||
7-May-2024 | /Methanol/Opt-freq Zn-L-2Az | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -257.459464; eV | ||||
7-May-2024 | /DMSO/Opt-freq Zn-L-2OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -258.542496; eV | ||||
7-May-2024 | /DMSO/Opt-freq Zn-L-2NCO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -259.537847; eV | ||||
7-May-2024 | /DMSO/Opt-freq DMSO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -49.777181; eV | ||||
7-May-2024 | /Water/Opt-freq Azide | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -26.697892; eV | ||||
7-May-2024 | /Methanol/Opt-freq L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.447913; eV | ||||
7-May-2024 | /Water/Opt-freq Water | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -14.307019; eV | ||||
7-May-2024 | /DMSO/Opt-freq Azide | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -26.664946; eV |
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