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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required31-May-2018ScGdC2@C1(39631)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.52842690; Eh
Login required31-May-2018ScGdO@C2v(9)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.33984590; Eh
Login required31-May-2018ScGdC2@C3v(8)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.55508098; Eh
Login required31-May-2018ScGdO@Cs(6)-C82Abella, LauraADF; 2013; 01Geometry optimizationDFTTZP; TZ2P-27.34102115; Eh
thumbnail.jpeg21-Jul-2016Sc2C2@D2(35)-C88Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.14721399; Eh
thumbnail.jpeg21-Jul-2016Sc2@C2(44)-C90Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.15063412; Eh
thumbnail.jpeg1-Mar-2016Sc2O@Td(2)-C76_optimizationAbella, LauraADF; 2012; 01Geometry optimizationDFTTZP; TZ2P-25.00749065; Eh
thumbnail.jpeg21-Jul-2016Sc2C2@C2v(15)-C86Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-28.48499152; Eh
thumbnail.jpeg21-Jul-2016Sc2C2@Cs(32)-C88Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.14522639; Eh
thumbnail.jpeg21-Jul-2016Sc2C2@C2v(9)-C86Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-28.49239308; Eh
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