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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Mar-2016UV-vis-NIR_of_Sc2O@Td(2)-C76Abella, LauraADF; 2012; 01Single pointDFTTZP; TZ2P-
Login required28-Jun-2017Lu3N@C80_mixteAbella, LauraADF; 2016Single point MinimumDFTTZP-1459.96163559; eV
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
Login required28-Jun-2017Lu3N@C80_THJ_ori2Abella, LauraADF; 2016Single point MinimumDFTTZP-1459.82350679; eV
thumbnail.jpeg21-Jul-2016Sc2C2@C2v(9)-C86Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-28.49239308; Eh
thumbnail.jpeg21-Jul-2016Sc2C2@Cs(hept)-C88_orientation_1Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.12107555; Eh
thumbnail.jpeg1-Mar-2016Frequencies_of_Sc2O@Td(2)-C76Abella, LauraADF; 2012; 01Single point MinimumDFTTZP; TZ2P-
thumbnail.jpeg21-Jul-2016Sc2C2@Cs(hept)-C88_orientation_2Abella, LauraADF; 2012; 01Geometry optimizationDFTTZP-29.13411640; Eh
Results 21-30 of 31 (Search time: 0.001 seconds).