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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/INu INu-1-lowestPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-2049.98657257; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/INu INu-2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) LANL2DZ GENECP-2049.98360281; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/INu INu-2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2050.6002684; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/TS1 TS1_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-2291.088898; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/other BaseHPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-371.538570972; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/other BaseH_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.6808975; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/other Base_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-371.2090316; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/other BasePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-371.063738232; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/other CO2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPCC-PVTZ AUG-CC-PVTZ GENECP-188.6643874; Eh
thumbnail.jpeg26-Dec-2022/mechanism_and_profile/other CO2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31G(D) GENECP-188.578946073; Eh
Results 181-190 of 282 (Search time: 0.002 seconds).