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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Dec-2022/other_bases/DABCO DABCO-proS-2-lowest_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2857.766375; Eh
thumbnail.jpeg26-Dec-2022/other_bases/TEA TEA-proR-1-lowest_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2804.8412866; Eh
thumbnail.jpeg26-Dec-2022/other_bases/TEA TEA-proR-2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2804.8346787; Eh
thumbnail.jpeg26-Dec-2022/Redox Cu1_heterocoupled_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2343.9109122; Eh
thumbnail.jpeg26-Dec-2022/Redox LCu1HFIP_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2059.6606964; Eh
thumbnail.jpeg26-Dec-2022/Redox LCu1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-1269.9599882; Eh
thumbnail.jpeg26-Dec-2022/Redox HFIP2__SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPAUG-CC-PVTZ CC-PVTZ GENECP-1579.8065069; Eh
thumbnail.jpeg26-Dec-2022/Redox A__SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-649.3483626; Eh
thumbnail.jpeg26-Dec-2022/Redox H2O_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-76.4721487; Eh
thumbnail.jpeg16-Sep-2022/Cationic_system/SP i5-+-s-SPLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G** GENECP-3070.0918962; Eh
Results 3631-3640 of 3986 (Search time: 0.005 seconds).