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.jpeg12-Jun-2017Pt411_1HCl5PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---192.15698668; eV
thumbnail.jpeg12-Jun-2017Pt411_2HCl5PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---198.73799597; eV
thumbnail.jpeg12-Jun-2017Pt111_2HCl4PtsurfAlmora, Neyvisvasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complexGeometry optimization---136.92068041; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_31a_9_/VAC/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--380.12847086; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_32a_31/OH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--349.16897077; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_32a_31/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--353.25975656; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_32a_31/VAC/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--338.15545288; eV
Login required17-Apr-20181_HCl_adsScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1198.11468627; eV
Login required17-Apr-20181_HBr_adsScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1197.53234363; eV
Login required17-Apr-20184_O2_dissotiationScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complexGeometry optimization---1210.81037481; eV
Results 1-10 of 1117 (Search time: 0.004 seconds).