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.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_5_/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--417.61375034; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_5_/VAC/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--402.36218775; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_13/OH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--447.76347378; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_14/VAC/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--442.88040388; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_16/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--464.15921112; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_19/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--408.51273530; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_19/VAC/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--393.33489966; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_24/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--329.07991475; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_16/OH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--459.90593324; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_3a1_23/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--374.90040354; eV
Results 31-40 of 97 (Search time: 0.002 seconds).

Discover

Calculation type
Method