Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-2ce3-pos_28_35-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15787626; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-1ce3-pos_33-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15790485; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-1ce3-pos_30-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15767870; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-1ce3-pos_35-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15789454; eV
thumbnail.jpeg18-Jun-2024/Transition_states/Rh/111 2324-2224Morandi, Santiagovasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complexGeometry optimizationDFT--
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-nondefect-2ce3-pos_33_35-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.28945004; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-nondefect-2ce3-pos_31_33-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-onlyGeometry optimizationDFT--857.54718039; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-2ce3-pos_29_31-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15802667; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-2ce3-pos_28_32-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15385079; eV
thumbnail.jpeg4-Aug-2022/Sampling Pt-4O-oxygen-1ce3-pos_32-gammaGeiger, Julianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-onlyGeometry optimizationDFT--864.15710638; eV
Results 69251-69260 of 104471 (Search time: 0.04 seconds).