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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/Pt/Br fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -215.28444290; eV | |||
 | 24-Jan-2020 | /opt/Pt/Br hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -215.10571661; eV | |||
 | 24-Jan-2020 | /opt/Pt/Br top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -215.02639197; eV | |||
 | 24-Jan-2020 | /opt/Pt/C fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -221.00420662; eV | |||
 | 24-Jan-2020 | /opt/Pt/C hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -220.83733943; eV | |||
 | 24-Jan-2020 | /opt/Pt/C top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -218.67809715; eV | |||
 | 24-Jan-2020 | /opt/Pt/CBr fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -223.69148143; eV | |||
 | 24-Jan-2020 | /opt/Pt/CBr hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -223.56262949; eV | |||
 | 24-Jan-2020 | /opt/Pt/CBr top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -221.24479660; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -225.46024613; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -225.33220153; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -222.65784420; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2 bri1 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -228.74091007; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2 bri2 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -228.74213448; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2 fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -228.58358278; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2 hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -228.74096392; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2 top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -227.87550884; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2Br top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -231.10631643; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH2Br2 top_top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -232.64785331; eV | |||
 | 24-Jan-2020 | /opt/Pt/CH3 fcc1 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -232.03220004; eV |