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Browsing by Author Punyapu, Venkata Rohit

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Showing results 21 to 40 of 504 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Oct-2023Cu5Fe19O32_tetrahedral_site6Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--388.12575261; eV
thumbnail.jpeg24-Oct-2023Cu5Fe19O32_tetrahedral_site7Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--388.12141563; eV
thumbnail.jpeg24-Oct-2023Cu6Fe18O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--386.15582211; eV
thumbnail.jpeg24-Oct-2023Cu7Fe17O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--381.92677154; eV
thumbnail.jpeg24-Oct-2023Cu8Fe16O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--377.79670885; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Co1Mn1Co1Fe1Mn1Co1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--406.02097066; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Co1Mn1Fe1Co1Fe1Mn1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--405.46036301; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Co1Mn1Fe1Co1Mn1Co1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--403.97461072; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Co2Mn1Fe1Mn2O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--406.02097066; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Mn1Co1Fe1Mn1Fe1Co1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--405.47864400; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Mn1Co1Mn1Co1Fe1Mn1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--407.30056355; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Mn1Co1Mn1Co1Mn2O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--409.16022752; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe1Mn1Fe2Co2Mn1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--405.48782400; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe2Co1Mn2Fe1Mn1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--408.78221130; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Fe2Mn1Co2Mn1Co1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--403.97441181; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Mn1Co1Fe1Mn3Co1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--409.16395026; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Mn1Co1Fe2Mn2Fe1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--410.20702017; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Mn1Co1Mn1Fe1Mn1Fe1Mn1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--410.66296377; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Mn1Co1Mn2Co2Mn1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--407.63523627; eV
thumbnail.jpeg24-Oct-2023Fe16Co1Mn1Co1Mn3Fe1Co1O32Punyapu, Venkata Rohitvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Sep 14 2020 09:14:41) complexSingle pointDFT--409.16643786; eV
Showing results 21 to 40 of 504 < previous   next >