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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Aug-2017 | 000110010 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1092.07004010; Eh | |||
 | 10-Aug-2017 | 000110008 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -814.135206812; Eh | |||
 | 10-Aug-2017 | 000110011 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -847.212064654; Eh | |||
 | 11-Aug-2017 | 000109992 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -935.066407343; Eh | |||
 | 1-Sep-2017 | 000155916 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1318.37886390; Eh | |||
 | 1-Sep-2017 | 000155911 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -733.044230612; Eh | |||
 | 1-Sep-2017 | 000155894 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1710.88291165; Eh | |||
 | 1-Sep-2017 | 000155927 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -765.840344423; Eh | |||
 | 12-Jun-2017 | Facet-Pt364_HCl119 | Almora, Neyvis | vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only | Geometry optimization | - | - | -2685.97033515; eV | |||
 | 12-Jun-2017 | Pt311_1HCl4Ptsurf | Almora, Neyvis | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Geometry optimization | - | - | -117.03657921; eV |
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