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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC3/Zoom/Guess2_FAIL/OPTGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2026.40831107; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Bimetallic/Ensemble EnsembleGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--3596.88148098; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC4/No_Opt 1_84González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.17795271; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC2/Water WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2102.88243335; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Bimetallic/FC_2Al_2Gly/Isom IsomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---3865.26294499; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC3/Zoom/Guess1_FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.39643248; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC4/No_Opt 2_04González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.24589499; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC4/No_Opt 1_94González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.21551727; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC3/Zoom/Guess3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--2026.38948276; Eh
thumbnail.jpeg1-Dec-2017/Mechanisms/OH_Insertion/Monometallic/OH_Insertion_Gly_coCat/Scan_CC2/Water/Zoom2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---2102.87090787; Eh
Results 61-70 of 169 (Search time: 0.002 seconds).