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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2023int_3_path_a_optArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3636.16285889; Eh
thumbnail.jpeg17-Oct-2023int_4_path_a_optArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevA.03Geometry optimization MinimumRB3LYPCC-PVDZ GEN-3636.21309395; Eh
thumbnail.jpeg17-Oct-2023int_4_path_b_optArtigas Ruf, AlbertGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRB3LYPCC-PVDZ GEN-5922.61504635; Eh
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