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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019PRODUCT_56f_SOSArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point MinimumUB3LYP--2785.28238905; Eh
thumbnail.jpeg3-Oct-2019/OPTFREQ A9Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Single point MinimumRB3LYP--3240.58407820; Eh
thumbnail.jpeg23-Apr-2022C6F5Cl_DIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point Minimum-AUG-CC-PVDZ GEN-2507.49116240; Eh
thumbnail.jpeg23-Apr-2022C6F5Br_DIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point Minimum-AUG-CC-PVDZ GEN-2464.66539231; Eh
thumbnail.jpeg23-Apr-2022C6F5I_DIglesias-Reguant, AlexGaussian; 16; EM64L-G16RevC.01Single point Minimum-AUG-CC-PVDZ GEN-2342.37484654; Eh
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