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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-2023Fe18Ni3Cu3O32_Site8Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--385.20241048; eV
thumbnail.jpeg24-Oct-2023Fe18Ni3Zn3O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--377.87443815; eV
thumbnail.jpeg24-Oct-2023Fe18Ni4Zn2O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--379.99745474; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5CuO32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--384.51096460; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5CuO32_Site1Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--383.22424878; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5CuO32_Site2Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--383.24174768; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5CuO32_Site3Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--384.57465897; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5CuO32_Site5Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--384.61377963; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5CuO32_Site7Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--384.55709957; eV
thumbnail.jpeg24-Oct-2023Fe18Ni5ZnO32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--382.08154631; eV
thumbnail.jpeg24-Oct-2023Fe18NiZn5O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--373.72135446; eV
thumbnail.jpeg24-Oct-2023Fe19Co1Mn4O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--412.26528530; eV
thumbnail.jpeg24-Oct-2023Fe19Co1Zn5O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Aug 01 2022 17:55:58) complexSingle pointDFT--382.24104820; eV
thumbnail.jpeg24-Oct-2023Fe19Co2Mn3O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--408.79489485; eV
thumbnail.jpeg24-Oct-2023Fe19Co2Ni3O32_Site1Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--393.29142201; eV
thumbnail.jpeg24-Oct-2023Fe19Co2Ni3O32_Site5Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--393.22164056; eV
thumbnail.jpeg24-Oct-2023Fe19Co2Ni3O32_Site6_tetPunyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--389.27103377; eV
thumbnail.jpeg24-Oct-2023Fe19Co2Zn3O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--385.84110623; eV
thumbnail.jpeg24-Oct-2023Fe19Co3Mn2O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--407.04533740; eV
thumbnail.jpeg24-Oct-2023Fe19Co3Ni2O32_Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--397.47894652; eV