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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement BI_ab_ascorbic_a+ascorbateWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-2a_HWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_P-a_OHWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement BI_waterWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement TS-1_waterWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement TS-2_ab_ascorbic_a+ascorbateWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement P_waterWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_SWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg4-Mar-2019TS2_Cl_homo_B3LYP_BS2Stanczak, AgnieszkaGaussian; 09; EM64L-G09RevC.01Single point StructureUB3LYP6-31G; 6-311G*-3372.91977753; Eh
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement P_ab_acetic_a+acetateWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
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