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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Feb-2019I6-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-395.600109904; Eh
thumbnail.jpeg5-Feb-2019I7-AuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD-158.820851182; Eh
thumbnail.jpeg5-Feb-2019I8-Cu-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-789.324230105; Eh
thumbnail.jpeg5-Feb-2019I1-Cu-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-872.562424067; Eh
thumbnail.jpeg5-Feb-2019I1-Au-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-810.946051184; Eh
thumbnail.jpeg5-Feb-2019I1-Ag-NBOMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-822.160623223; Eh
thumbnail.jpeg5-Feb-2019NMe4Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(d,p)-214.093582988; Eh
thumbnail.jpeg5-Feb-2019I-negaMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06SDD-11.5726270541; Eh
thumbnail.jpeg5-Feb-2019PhIMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06SDD; 6-31+G(d,p)-242.860981882; Eh
thumbnail.jpeg5-Feb-2019PhCF3Mudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G(d,p)-569.029781789; Eh
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