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Browsing by Subject Au

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Showing results 21 to 30 of 30 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state1Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.37488276; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state10Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.48195939; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state2Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1276.95572116; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state3Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.13165208; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state4Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.49524503; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state5Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.22937660; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state6Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.25976900; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state7Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1277.16045436; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state8Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1276.91003549; eV
thumbnail.jpeg2-Jun-2022CO_Au31_CeO2_state9Bruix, Albertvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 17 2020 00:00:03) gamma-onlyGeometry optimizationDFT--1276.76575176; eV
Showing results 21 to 30 of 30 < previous