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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Optimisations LT_proton_shiftBandeira, NunoGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure---1109.99046817; Eh
thumbnail.jpeg25-Nov-2016/7_membered_lactone/Optimisations ReactantsBandeira, NunoGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure---1111.18109227; Eh
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