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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2018a_6_freqFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g(d)-1400.49431067; Eh
thumbnail.jpeg15-Oct-2018a_4Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1400.48477762; Eh
thumbnail.jpeg15-Oct-2018a_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1400.49389568; Eh
thumbnail.jpeg15-Oct-2018a_6_Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1400.49431067; Eh
thumbnail.jpeg15-Oct-20183_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.24805681; Eh
thumbnail.jpeg15-Oct-20182_4Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.20312677; Eh
thumbnail.jpeg15-Oct-20183_6Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.26046517; Eh
thumbnail.jpeg15-Oct-20181_4Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.87018732; Eh
thumbnail.jpeg15-Oct-20183_2_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.26927250; Eh
thumbnail.jpeg15-Oct-20184_2_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1362.23880144; Eh
Results 1-10 of 66 (Search time: 0.001 seconds).