Browsing by Author Fernández, Víctor

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Sep-20171Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+g(d)-440.126977109; Eh
thumbnail.jpeg15-Oct-20181_2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.85108023; Eh
thumbnail.jpeg15-Oct-20181_2-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1211.62846369; Eh
thumbnail.jpeg15-Oct-20181_2-OPBEFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOPBE6-31+g(d)-1211.51121162; Eh
thumbnail.jpeg15-Oct-20181_2_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.86593109; Eh
thumbnail.jpeg8-May-20181_3Int1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureUM06lanl2dz; 6-31+g(d)-1161.76718038; Eh
thumbnail.jpeg8-May-20181_3TSDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUM06lanl2dz; 6-31+g(d)-1161.75415665; Eh
thumbnail.jpeg15-Oct-20181_4Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.87018732; Eh
thumbnail.jpeg15-Oct-20181_4-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1211.63554663; Eh
thumbnail.jpeg15-Oct-20181_4-OPBEFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOPBE6-31+g(d)-1211.52517015; Eh
thumbnail.jpeg15-Oct-20181_4_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.87341483; Eh
thumbnail.jpeg15-Oct-20181_6Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.85033831; Eh
thumbnail.jpeg15-Oct-20181_6-m06lFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06L6-31+g(d)-1211.61255337; Eh
thumbnail.jpeg15-Oct-20181_6-OPBEFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUOPBE6-31+g(d)-1211.49731057; Eh
thumbnail.jpeg15-Oct-20181_6_bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+g(d)-1211.85231625; Eh
thumbnail.jpeg8-May-20181_DFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.75195677; Eh
thumbnail.jpeg8-May-20181_Int0Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.76642489; Eh
thumbnail.jpeg8-May-20181_Int1Fernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.78191466; Eh
thumbnail.jpeg8-May-20181_Int1bFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.77429017; Eh
thumbnail.jpeg8-May-20181_Int2Fernández, VíctorGaussian; 09; EM64L-G09RevA.02Geometry optimization MinimumUM06lanl2dz; 6-31+g(d)-1161.82438737; Eh