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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.jpeg5-Dec-2016th@c82_ipr8Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.50297963; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_ox1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.32829118; Eh
thumbnail.jpeg5-Dec-2016th@c82_app1_39706Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.44428706; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_frequencies th@c82_ipr8_freqRoser, MoralesADF; 2013; 01Single point MinimumDFTTZP-
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_red1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.64697629; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr6Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.49173517; Eh
thumbnail.jpeg5-Dec-2016th@c82_ipr5Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.49249781; Eh
thumbnail.jpeg5-Dec-2016/th@c82_ipr8_redox th@c82_ipr8_neutralRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP-26.51495323; Eh
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