Browsing by Subject Electrochemical
Showing results 1 to 7 of 7
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Apr-2017 | Adsorption_of_nitrobenzene | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | Geometry optimization | - | - | - | |||
 | 6-Apr-2017 | Adsorption_of_nitrobenzene_on_PtNP-_N(CH3)3CH2OH_H2PO4_+_H3O+ | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | Geometry optimization | - | - | -5859.87531054; eV | |||
 | 6-Apr-2017 | NEB_of_H2_on_PtNP-HHDMA-w | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | Geometry optimization | - | - | -5773.04879662; eV | |||
 | 6-Apr-2017 | Pt(111) | Almora, Neyvis | vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex | Single point | - | - | -856.47248203; eV | |||
 | 6-Apr-2017 | Pt260NP | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | Single point | - | - | -1284.94171579; eV | |||
 | 6-Apr-2017 | Pt260NP-(_N(CH3)3CH2OH_H2PO4)57 | Almora, Neyvis | vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only | Single point | - | - | -9779.36029660; eV | |||
 | 6-Apr-2017 | sym-Pt(111)-_N(CH3)3CH2OH_H2PO4 | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only | Single point | - | - | -1574.64164637; eV |