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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required26-Dec-2022/mechanism_and_profile/I0 I0-AS-3_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-1919.8675503; Eh
Login required26-Dec-2022/mechanism_and_profile/TS1 TS1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2291.088898; Eh
Login required26-Dec-2022/Redox Cu1_heterocoupled_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2343.9109122; Eh
Login required26-Dec-2022/Redox HO__SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-75.9348088; Eh
Login required26-Dec-2022/mechanism_and_profile/I12 I12r_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2883.5211538; Eh
Login required26-Dec-2022/mechanism_and_profile/TS4 TS4s_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2883.5023161; Eh
Login required26-Dec-2022/dispersion_interaction/pro-S Base_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.1980548; Eh
Login required26-Dec-2022/mechanism_and_profile/I2 I2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2291.0943997; Eh
Login required26-Dec-2022/mechanism_and_profile/TS4 TS4r-2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2883.4960154; Eh
Login required26-Dec-2022/mechanism_and_profile/I14 I14s_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2512.2775313; Eh
Results 161-170 of 210 (Search time: 0.001 seconds).