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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Jan-2020 | /opt_freq/Pt/C fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -210.21211858; eV | ||||
24-Jan-2020 | /opt_freq/Ir/CHBr hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -297.63031559; eV | ||||
24-Jan-2020 | /opt_freq/Ni/CH4 top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -208.25595715; eV | ||||
24-Jan-2020 | /opt_freq/Pt/C top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -206.59378875; eV | ||||
24-Jan-2020 | /opt_freq/Pt/Br top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -202.03117019; eV | ||||
24-Jan-2020 | /opt_freq/Ru/CH3Br fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -316.55006913; eV | ||||
24-Jan-2020 | /opt_freq/Co/CH3 fcc_rot | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -265.54203922; eV | ||||
24-Jan-2020 | /opt_freq/Co/H hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -249.49861234; eV | ||||
24-Jan-2020 | /opt_freq/Ni/CH2Br2 bri_top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -209.04016544; eV | ||||
24-Jan-2020 | /opt_freq/Ag/CH3Br hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -121.54380021; eV |
Results 11-20 of 800 (Search time: 0.001 seconds).