Browsing by Author Zlatar, Matija
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-May-2024 | /EDA ZnL-2OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | BP86 | - | -16.214106; eV | |||
| 7-May-2024 | /EDA ZnL2 | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | BP86 | - | -6.661770; eV | |||
| 7-May-2024 | /FDL/HL HL | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -298.474272; eV | ||||
| 7-May-2024 | /FDL/HL HL_m | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -291.695373; eV | ||||
| 7-May-2024 | /FDL/HL HL_p | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -300.921759; eV | ||||
| 7-May-2024 | /FDL/Zn-2L Zn-2L | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -589.685535; eV | ||||
| 7-May-2024 | /FDL/Zn-2L Zn-2L-m | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -583.370682; eV | ||||
| 7-May-2024 | /FDL/Zn-2L Zn-2L-p | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -591.973467; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2Az Zn-L-2Az | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -371.856907; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2Az ZnL-2Az-m | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -365.496460; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2Az ZnL-2Az-p | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -374.454683; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2NCO Zn-L-2NCO | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -372.864521; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2NCO Zn-L-2NCO-m | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -366.818560; eV | ||||
| 7-May-2024 | /FDL/Zn-L-2NCO Zn-L-2NCO-p | Zlatar, Matija | AMS; 2023.104; r115785 | Single point | TZP | -375.390579; eV | ||||
| 7-May-2024 | /Gas Zn-2L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -407.615815; eV | |||
| 7-May-2024 | /Gas Zn-L-2Az | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -255.956614; eV | |||
| 7-May-2024 | /Gas Zn-L-2NCO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -257.628558; eV | |||
| 7-May-2024 | /Gas Zn-L-2OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -256.807735; 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 L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.447913; eV |