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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-May-2024 | /DMSO/Opt-freq Zn-2L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -413.144450; eV | ||||
7-May-2024 | /DMSO/Opt-freq L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.412461; eV | ||||
7-May-2024 | /Water/Opt-freq Zn-L-2NCO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -259.661467; eV | ||||
7-May-2024 | /Water/Opt-freq Zn-L-2Aq | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -231.723764; eV | ||||
7-May-2024 | /Water/Opt-freq Zn-L-2OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -258.694600; eV | ||||
7-May-2024 | /Water/Opt-freq Zn-L-2Az | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -257.553952; eV | ||||
7-May-2024 | /Water/Opt-freq Zn-2L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -413.389108; eV | ||||
7-May-2024 | /Water/Opt-freq HL | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.558879; eV | ||||
7-May-2024 | /Water/Opt-freq L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.540425; eV | ||||
7-May-2024 | /DMSO/Opt-freq DMSO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -49.777181; eV |
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