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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/Ag/CBr top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -107.50381329; eV | ||||
| 24-Jan-2020 | /opt_freq/Cu/CH2 fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -150.09832336; eV | ||||
| 24-Jan-2020 | /opt_freq/Ag/Br fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -103.19209505; eV | ||||
| 24-Jan-2020 | /opt_freq/Ag/H top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -102.68211832; eV | ||||
| 24-Jan-2020 | /opt_freq/Pt/C hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -210.01891757; eV | ||||
| 24-Jan-2020 | /opt_freq/Co/CH3Br top2 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -267.87579088; eV | ||||
| 24-Jan-2020 | /opt_freq/Co/CH3Br bri | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -267.88015325; eV | ||||
| 24-Jan-2020 | /opt_freq/Co/CH3 hcp_rot | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -265.58981022; eV | ||||
| 24-Jan-2020 | /opt_freq/Co/CBr hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -256.35659135; eV | ||||
| 24-Jan-2020 | /opt_freq/Cu/CBr hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Frequencies | DFT | - | -144.53400354; eV |
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