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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Nov-2016/Gamma_butirolactone/Solvated_Single_points Int_1Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1032.60542923; Eh
thumbnail.jpeg25-Nov-2016/Gamma_butirolactone/Solvated_Single_points Int_2Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1032.60400216; Eh
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Solvated_Single_points ProductBandeira, NunoGaussian; 09; EM64L-G09RevC.01Single point StructureRM06--1111.21456735; Eh
thumbnail.jpeg25-Nov-2016/Gamma_butirolactone/Solvated_Single_points Int_3Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1032.61454954; Eh
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Solvated_Single_points Int_2Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1111.18566061; Eh
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Solvated_Single_points Int_3Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1111.20927227; Eh
thumbnail.jpeg25-Nov-2016/Gamma_butirolactone/Solvated_Single_points TS_1Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1032.59259565; Eh
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Solvated_Single_points Int_1Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1111.18662076; Eh
thumbnail.jpeg25-Nov-2016/Gamma_butirolactone/Solvated_Single_points ReactantsBandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Solvated_Single_points TS_2Bandeira, NunoGaussian; 09; EM64L-G09RevD.01Single point StructureRM06--1111.20468322; Eh
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