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Showing results 31404 to 31423 of 50798 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required24-Oct-2022/O relMinotaki, Mariavasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--1.90247300; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O17Cl3-01Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--382.62539623; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O17Cl3-02Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--384.26542702; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O17Cl3-03Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--383.48414720; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O17Cl3-04Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--383.51704783; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O18Cl2-01Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--387.27793618; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O18Cl2-02Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--386.80126431; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O18Cl2-03Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--388.17265810; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O19Cl1-01Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--391.30833885; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O19Cl1-02Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--390.10085543; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O19Cl1-03Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--390.18612898; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O19Cl1-04Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--390.59320373; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl1-01Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--396.89582117; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl1-02Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--395.92156441; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl2-01Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--399.25376722; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl2-02Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--400.51205042; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl2-03Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--399.78477694; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl2-04Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--400.70437415; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl2-05Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--398.96922575; eV
thumbnail.jpeg11-Nov-2022/O-Cl_stability Cu80O20Cl2-06Ibáñez-Alé, Enricvasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complexGeometry optimizationDFT--398.67904419; eV