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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2025 | ag_ctz2 | Zlatar, Matija | AMS; 2023.104; r115785 | Geometry optimization | BP86 | - | -549.771793; eV | |||
 | 23-Jul-2025 | ag_ecz2 | Zlatar, Matija | AMS; 2023.104; r115785 | Geometry optimization | BP86 | - | -486.024313; eV | |||
 | 23-Jul-2025 | ag_vcz2 | Zlatar, Matija | AMS; 2023.104; r115785 | Geometry optimization | BP86 | - | -502.525841; eV | |||
 | 23-Jul-2025 | ag_vcz4 | Zlatar, Matija | AMS; 2023.104; r115785 | Geometry optimization | BP86 | - | -1007.849322; eV | |||
 | 24-Jul-2025 | complex-1 | Zlatar, Matija | AMS; 2022.102; r103598 | Frequencies | BP86 | - | -432.873954; eV | |||
 | 24-Jul-2025 | complex-1-monomer | Zlatar, Matija | AMS; 2022.102; r103598 | Frequencies | BP86 | - | -216.118592; eV | |||
 | 24-Jul-2025 | complex-1-xray-bs | Zlatar, Matija | AMS; 2022.102; r103598 | Single point | 5. 1. 2 | TZP | -615.692812; eV | |||
 | 24-Jul-2025 | complex-1-xray-hs | Zlatar, Matija | AMS; 2022.102; r103598 | Single point | 5. 1. 2 | TZP | -615.692852; eV | |||
 | 24-Jul-2025 | complex-2 | Zlatar, Matija | AMS; 2022.102; r103598 | Frequencies | BP86 | - | -472.006300; eV | |||
 | 24-Jul-2025 | complex-2-bare | Zlatar, Matija | AMS; 2022.102; r103598 | Frequencies | BP86 | - | -408.125244; eV | |||
 | 24-Jul-2025 | complex-3 | Zlatar, Matija | AMS; 2022.102; r103598 | Frequencies | BP86 | - | -411.492100; eV | |||
 | 24-Jul-2025 | complex-4 | Zlatar, Matija | AMS; 2022.102; r103598 | Frequencies | BP86 | - | -440.668114; eV | |||
 | 23-Jul-2025 | ctz | Zlatar, Matija | AMS; 2023.104; r115785 | Geometry optimization | BP86 | - | -275.524745; eV | |||
 | 7-May-2024 | /DMSO/Opt-freq Azide | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -26.664946; eV | |||
 | 7-May-2024 | /DMSO/Opt-freq DMSO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -49.777181; eV | |||
 | 7-May-2024 | /DMSO/Opt-freq L | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -208.412461; eV | |||
 | 7-May-2024 | /DMSO/Opt-freq OCN | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -27.649223; eV | |||
 | 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 Zn-L-2Az | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -257.433000; eV | |||
 | 7-May-2024 | /DMSO/Opt-freq Zn-L-2DMSO | Zlatar, Matija | AMS; 2023.104; r115785 | Frequencies | BP86 | - | -303.274610; eV |