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Browsing by Author Wu, Tiantian

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Showing results 1 to 20 of 77  next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required6-Nov-20232Cu-CeO2Wu, Tiantianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complexGeometry optimizationDFT--427.60010666; eV
Login required6-Nov-20232Cu-CeO2_other_unstable_configuration_1Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--427.35819794; eV
Login required6-Nov-20232Cu-CeO2_other_unstable_configuration_2Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--426.38322197; eV
Login required6-Nov-20232Cu-CeO2_other_unstable_configuration_3Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--427.33908040; eV
Login required6-Nov-20232Cu-CeO2_other_unstable_configuration_4Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--427.09011013; eV
Login required6-Nov-20232Cu-CeO2_other_unstable_configuration_5Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--425.65853138; eV
Login required6-Nov-20232Ni-CeO2Wu, Tiantianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complexGeometry optimizationDFT--432.10537410; eV
Login required6-Nov-20232Ni-CeO2_other_unstable_configuration_1Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--431.50142479; eV
Login required6-Nov-20232Ni-CeO2_other_unstable_configuration_2Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--430.51503074; eV
Login required6-Nov-20232Ni-CeO2_other_unstable_configuration_3Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--431.13151542; eV
Login required6-Nov-20232Ni-CeO2_other_unstable_configuration_4Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--431.60621713; eV
Login required6-Nov-20232Ni-CeO2_other_unstable_configuration_5Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--429.66509502; eV
thumbnail.jpeg6-Nov-20232Pd-CeO2Wu, Tiantianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complexGeometry optimizationDFT--430.37901769; eV
Login required6-Nov-20232Pd-CeO2_other_unstable_configuration_1Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--429.13170185; eV
Login required6-Nov-20232Pd-CeO2_other_unstable_configuration_2Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--428.96231295; eV
Login required6-Nov-20232Pd-CeO2_other_unstable_configuration_3Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--428.30676842; eV
Login required6-Nov-20232Pd-CeO2_other_unstable_configuration_4Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--428.12116307; eV
Login required6-Nov-20232Pd-CeO2_other_unstable_configuration_5Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--426.97751932; eV
Login required6-Nov-20232Rh-CeO2Wu, Tiantianvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 21 2021 12:14:13) complexGeometry optimizationDFT--434.42141085; eV
Login required6-Nov-20232Rh-CeO2_other_unstable_configuration_1Wu, Tiantianvasp; 6.3.0; 20Jan22 (build Nov 15 2022 14:22:01) complexN/ADFT--433.08424142; eV
Showing results 1 to 20 of 77  next >