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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_TS-2b_OHWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/AsqJ_cluster_models cluster_RI-1bWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018ONIOM_TS-1aWojdyła, ZuzannaGaussian; 16; ES64L-G16RevA.03Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg30-Oct-2017M4Borowski, TomaszGaussian; 09; EM64L-G09RevD.01Single point StructureONIOM; B3LYP; AMBER--
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_5 Freq_step5i_M04_S12gAngelone, DavideADF; 2013; 01Single point TSDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_0 Freq_step0_M02_S12gAngelone, DavideADF; 2013; 01Single point MinimumDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_2 SP_step2_M02_S12gAngelone, DavideADF; 2016Single pointDFTTZ2P-
thumbnail.jpeg22-Jul-2017/L-N2Me2/STEP_4 Freq_step4_M06_S12gAngelone, Davide-Single point TSDFTTZ2P-
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement TS-1_ab_ascorbic_a+ascorbateWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
thumbnail.jpeg19-Feb-2018/nonenzymatic_rearrangement BI_ab_acetic_a+acetateWojdyła, ZuzannaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP--
Results 51-60 of 4907 (Search time: 0.0 seconds).