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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-May-2024 | /Methanol/Opt-freq Zn-L-2MeOH | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -263.194742; eV | |||
| 7-May-2024 | /Methanol/Opt-freq Zn-L-2NCO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -259.555454; eV | |||
| 7-May-2024 | /Methanol/Opt-freq Zn-L-2OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -258.565026; eV | |||
| 7-May-2024 | /Methanol/Opt-freq Zn-L-2Az | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -257.459464; eV | |||
| 7-May-2024 | /Methanol/Opt-freq Zn-2L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -413.171234; eV | |||
| 7-May-2024 | /Methanol/Opt-freq L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.447913; eV | |||
| 7-May-2024 | /Methanol/Opt-freq MeOH | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -30.036361; eV | |||
| 7-May-2024 | /Methanol/Opt-freq Azide | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -26.640918; eV | |||
| 7-May-2024 | /Methanol/Opt-freq OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -27.625286; eV | |||
| 7-May-2024 | /Water/Opt-freq Water | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -14.307019; eV |
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- 32 Bond energy
- 32 Conceptual DFT
- 32 Hydrazones
- 32 Zn complexes
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- 32 AMS
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- 32 BP86