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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/Rh/C top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -257.10177888; eV | |||
 | 24-Jan-2020 | /opt/Rh/CBr fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -261.67046987; eV | |||
 | 24-Jan-2020 | /opt/Rh/CBr hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -261.75110157; eV | |||
 | 24-Jan-2020 | /opt/Rh/CBr top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -259.89597809; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -263.33530456; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -263.40741254; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -261.34354148; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH2 fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -266.80835128; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH2 hcp | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -266.79747969; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH2 top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -265.90515734; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH2Br top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -269.15958179; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH2Br2 top_top | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.82683682; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3 fcc1 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.58031555; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3 fcc2 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.16147034; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3 hcp1 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.12369357; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3 hcp2 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.53673870; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3 top1 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.50103027; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3 top2 | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -270.50394545; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3Br bri | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -272.65900377; eV | |||
 | 24-Jan-2020 | /opt/Rh/CH3Br fcc | Garcia, Sergio Pablo | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -272.46145012; eV |