Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Nov-2017Pd-TPP_zFako, Edvinvasp; 5.4.4; 21Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---595.83806977; eV
thumbnail.jpeg3-Nov-2017H2OFako, Edvinvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimization---14.21914418; eV
thumbnail.jpeg3-Nov-2017Pd-TPP_TS2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---659.98145147; eV
thumbnail.jpeg9-Nov-2017Pd-ECN_TS2Fako, Edvinvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle point---2152.09677131; eV
thumbnail.jpeg2-Nov-2017Pd-ECN_aFako, Edvinvasp; 5.4.4; 47Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---1981.27824587; eV
thumbnail.jpeg3-Nov-2017Pd-TPP_bFako, Edvinvasp; 5.4.4; 26Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---525.89610358; eV
thumbnail.jpeg3-Nov-2017Pd-atom_A2Fako, Edvinvasp; 5.4.4; 34Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---213.08623215; eV
thumbnail.jpeg3-Nov-2017Pd-atom_A1Fako, Edvinvasp; 5.4.4; 35Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---213.08623215; eV
thumbnail.jpeg3-Nov-2017Pd-atom_yFako, Edvinvasp; 5.4.4; 32Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimization---147.11606109; eV
thumbnail.jpeg3-Nov-2017Pd-atom_TS1Fako, Edvinvasp; 5.4.4; 37Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlySingle point---76.70284968; eV
Results 31-40 of 2304 (Search time: 0.001 seconds).

Discover

Program name
Method