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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Oct-2017/Path_b HC2COOHBandeira, NunoADF; 2013; 01Geometry optimization MinimumDFTDZP-1.65410198; Eh
thumbnail.jpeg26-Oct-2017/Organic_path_a TSa_Bandeira, NunoADF; 2013; 01TSDFTDZP-4.02771758; Eh
thumbnail.jpeg26-Oct-2017/Path_b TSbBandeira, NunoADF; 2013; 01TSDFTDZP; TZP-29.13979688; Eh
thumbnail.jpeg26-Oct-2017/Organic_path_b TSb_Bandeira, NunoADF; 2013; 01TSDFTDZP-4.02207163; Eh
thumbnail.jpeg26-Oct-2017/Path_b 1b_Bandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-
thumbnail.jpeg26-Oct-2017/Path_b 2b_Bandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-29.15992143; Eh
thumbnail.jpeg26-Oct-2017/Organic_path_b 2b_Bandeira, NunoADF; 2013; 01Geometry optimization TSDFTDZP-4.14947249; Eh
thumbnail.jpeg26-Oct-2017/Organic_path_b TSbBandeira, NunoADF; 2013; 01TSDFTDZP-4.02593799; Eh
thumbnail.jpeg26-Oct-2017/Path_b 2bBandeira, NunoADF; 2013; 01Geometry optimizationDFTDZP; TZP-29.17158947; Eh
thumbnail.jpeg26-Oct-2017/Organic_path_b 1b_Bandeira, NunoADF; 2013; 01Geometry optimization TSDFTDZP-4.05331892; Eh
Results 1-10 of 28 (Search time: 0.001 seconds).