th@c82

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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-2-11
PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpeg/th@c82_ipr8_raman th@c82_ipr8_ramanRoser, MoralesADF; 2013; 01Single pointDFTTZP--
thumbnail.jpeg/th@c82_ipr8_frequencies th@c82_ipr8_freqRoser, MoralesADF; 2013; 01Single point MinimumDFTTZP--
thumbnail.jpeg/th@c82_ipr8_redox th@c82_ipr8_neutralRoser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.51495323; Eh
thumbnail.jpeg/th@c82_ipr8_redox th@c82_ipr8_ox1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.32829118; Eh
thumbnail.jpeg/th@c82_ipr8_redox th@c82_ipr8_red1Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.64697629; Eh
thumbnail.jpeg/th@c82_ipr8_UV-Vis-NIR th@c82_ipr8_UVRoser, MoralesADF; 2013; 01Single pointDFTTZP--
thumbnail.jpegth@c82_ipr8Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.50297963; Eh
thumbnail.jpegth@c82_ipr6Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.49173517; Eh
thumbnail.jpegth@c82_app1_39706Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.44428706; Eh
thumbnail.jpegth@c82_ipr5Roser, MoralesADF; 2013; 01Geometry optimizationDFTTZP--26.49249781; Eh
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