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_41a_2_/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--411.81218223; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_41a_3_/OOH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--366.13689264; 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_41a_2_/VAC/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--396.64783632; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_41a_3_/OH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--361.79615008; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_41a_2_/OH/LS INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--407.47397288; eV
thumbnail.jpeg19-Feb-2021/beef_molsimps/Ru_oct_desorbed_6_/VAC INCARCraig, Michaelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:12:23) gamma-onlyGeometry optimizationDFT--337.71105036; eV
Results 91-97 of 97 (Search time: 0.002 seconds).

Discover

Calculation type
Method