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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-May-2019/1-4 CF-U2-singletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.77048399; Eh
thumbnail.jpeg14-May-2019/1-4 CF-U2-tripletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.76318511; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-quintetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.34268583; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-singletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88568947; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-tripletMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88471036; Eh
thumbnail.jpeg14-May-2019/1-4 CF-U2-nonetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.78683556; Eh
thumbnail.jpeg14-May-2019/1-2 CF-U2-nonetMoreno Vicente, AntonioADF; 2017Geometry optimizationDFTTZP-43.88017463; Eh
Login required15-Dec-2020Gd_crystalWang, Feivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--6797.92785858; eV
Login required21-Dec-2020La_crystalWang, Feivasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complexGeometry optimizationDFT--6786.36593353; eV
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