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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg8-May-20182_RFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-956.199443153; Eh
thumbnail.jpeg8-May-20182_R_TDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRM06; TD-FClanl2dz; 6-31+g(d)-956.199443151; Eh
thumbnail.jpeg8-May-20183_RFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-900.860845359; Eh
thumbnail.jpeg8-May-20181_TSDFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1161.74941391; Eh
thumbnail.jpeg8-May-20183_TS2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1051.04251889; Eh
thumbnail.jpeg8-May-20184_TS2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1129.62268622; Eh
thumbnail.jpeg8-May-20181_TS2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1161.72755759; Eh
thumbnail.jpeg8-May-20182_TS2Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1106.38545882; Eh
thumbnail.jpeg8-May-20181_DFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM06lanl2dz; 6-31+g(d)-1161.75195677; Eh
thumbnail.jpeg8-May-20184_TS1Fernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM06lanl2dz; 6-31+g(d)-1129.61388097; Eh
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