Browsing by Author Nikačević, Pavle
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Mar-2021 | /011_vacancies 10 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1037.73425688; eV | |||
 | 15-Mar-2021 | /011_vacancies 11 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1037.79255967; eV | |||
 | 15-Mar-2021 | /011_vacancies 2 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1038.08784720; eV | |||
 | 15-Mar-2021 | /011_vacancies 4 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1037.93781860; eV | |||
 | 15-Mar-2021 | /011_vacancies 6 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1037.71584649; eV | |||
 | 15-Mar-2021 | /011_vacancies 9 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1037.88257214; eV | |||
 | 15-Mar-2021 | /011_vacancies doubly-split_s2 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1038.13596846; eV | |||
 | 15-Mar-2021 | /011_vacancies s1 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1038.72916564; eV | |||
 | 15-Mar-2021 | /011_vacancies s2 | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1038.49724059; eV | |||
 | 13-Jun-2022 | /Carbon_Nitride g-CN | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Single point | DFT | - | -471.11118686; eV | |||
 | 13-Jun-2022 | /Carbon_Nitride g-CN_4layers | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1900.39522285; eV | |||
 | 13-Jun-2022 | /Carbon_Nitride g-CN_terminated | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Single point | DFT | - | -1451.34415337; eV | |||
 | 13-Jun-2022 | /Carbon_Nitride g-CN_terminated_noNH2 | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Geometry optimization | DFT | - | -1445.73821232; eV | |||
 | 13-Jun-2022 | /Carbon_Nitride g-CN_terminated_noOH | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Geometry optimization | DFT | - | -1456.93499402; eV | |||
 | 13-Jun-2022 | /Carbon_Nitride g-CNH_4layers | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -1904.20306310; eV | |||
 | 6-Dec-2022 | /Carbon_Nitride melon-2D | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Geometry optimization | DFT | - | -1656.83892032; eV | |||
 | 6-Dec-2022 | /Carbon_Nitride melon-2D-H | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Geometry optimization | DFT | - | -1660.30378744; eV | |||
 | 3-Nov-2022 | /Carbon_Nitride s-melon-2D | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -273.79185980; eV | |||
 | 3-Nov-2022 | /Carbon_Nitride s-melon-2D-H | Nikačević, Pavle | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -277.50421060; eV | |||
 | 20-Jun-2022 | /Classical_semiconductors GaAs_GW | Nikačević, Pavle | vasp; 6.1.0; 28Jan20 (build Feb 27 2020 09:57:40) complex | Single point | DFT | - | - |