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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-20185x_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.25159750; Eh
thumbnail.jpeg15-Oct-2018b_4Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1400.47503621; Eh
thumbnail.jpeg15-Oct-2018b_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1400.49999121; Eh
thumbnail.jpeg15-Oct-20182_2_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.21561370; Eh
thumbnail.jpeg15-Oct-2018TS2x_6Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+g(d)-1362.17753074; Eh
thumbnail.jpeg15-Oct-2018b_2_freqFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g(d)-1400.49999121; Eh
thumbnail.jpeg15-Oct-20185x_6Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.24186363; Eh
thumbnail.jpeg15-Oct-20182_6_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.23487349; Eh
thumbnail.jpeg15-Oct-20181_4_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.87341483; Eh
thumbnail.jpeg15-Oct-2018TS2x_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+g(d)-1362.17840270; Eh
Results 1-10 of 66 (Search time: 0.492 seconds).