Browsing by Subject Huisgen reaction

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Showing results 21 to 28 of 28 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Oct-2017/Path_b 1bBandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-29.26802624; Eh
thumbnail.jpeg26-Oct-2017/Path_b 1b_Bandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-
thumbnail.jpeg26-Oct-2017/Path_b 2bBandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-29.17158947; Eh
thumbnail.jpeg26-Oct-2017/Path_b 2b_Bandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-29.15992143; Eh
thumbnail.jpeg26-Oct-2017/Path_b HC2COOHBandeira, NunoADF; 2013; 01Geometry optimization MinimumDFTDZP-1.65410198; Eh
thumbnail.jpeg26-Oct-2017/Path_b Mo14-N3CH2COOBandeira, NunoADF; 2013; 01Geometry optimization TSDFTDZP; TZP-
thumbnail.jpeg26-Oct-2017/Path_b TSbBandeira, NunoADF; 2013; 01TSDFTDZP; TZP-29.13979688; Eh
thumbnail.jpeg26-Oct-2017/Path_b TSb_Bandeira, NunoADF; 2013; 01TSDFTDZP; TZP-29.12750256; Eh