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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jan-2019/L1 1c-1HFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1255.91235712; Eh
thumbnail.jpeg11-Feb-2022TpBr3Cu_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-1011.75573165; Eh
thumbnail.jpeg17-Jan-2019/L3 1c-OHadductFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1445.92680308; Eh
thumbnail.jpeg17-Jan-2019/L3 1aFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1294.38481270; Eh
thumbnail.jpeg17-Jan-2019/L3 1dFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1445.93474431; Eh
thumbnail.jpeg17-Jan-2019/L4 TS1d-eFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYP6-31+G*-1560.45242680; Eh
thumbnail.jpeg17-Jan-2019/L4 1cFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1484.51255292; Eh
thumbnail.jpeg17-Jan-2019/L4 1dFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1560.46221970; Eh
thumbnail.jpeg29-Sep-20175_e_gasFernández, VíctorGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumONIOM; wB97XD; UFFlanl2dz; 6-31+g(d)-1808.69525247; Eh
thumbnail.jpeg29-Sep-20177major_tbu_solvFernández, VíctorGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XDlanl2dz; 6-31+g(d)-4183.24726772; Eh
Results 11-20 of 679 (Search time: 0.003 seconds).