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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_UV-Vis-NIR th@c82_ipr8_UVRoser, MoralesADF; 2013; 01Single pointDFTTZP-
thumbnail.jpeg1-Mar-2016UV-vis-NIR_of_Sc2O@Td(2)-C76Abella, LauraADF; 2012; 01Single pointDFTTZP; TZ2P-
thumbnail.jpeg30-Jan-2017/th@c82_ipr8_raman th@c82_ipr8_ramanRoser, MoralesADF; 2013; 01Single pointDFTTZP-
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