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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg14-May-2018/NbL-H TS_Htransfer_LHSolé-Daura, AlbertGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP--1901.95000706; Eh
thumbnail.jpeg16-Feb-2018PCo4_TS_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization TSUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7162.52404785; Eh
thumbnail.jpeg16-Feb-2018VCo4_TS_optPoblet, Josep M.Gaussian; 09; EM64L-G09RevA.02Geometry optimization TSUB3LYPlanl2dz; 6-31g(d,p); 6-31g-7292.49247852; Eh
thumbnail.jpeg10-Mar-2021/SILVER/TS 2a2pin-Ag-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2523.87545251; Eh
thumbnail.jpeg10-Mar-2021/SILVER/TS 33pin-Ag-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2934.48172686; Eh
thumbnail.jpeg10-Mar-2021/SILVER/TS 1apin-Ag-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2113.27363144; Eh
thumbnail.jpeg10-Mar-2021/PALLADIUM/TS 2a2pin-Pd-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-1818.54923380; Eh
thumbnail.jpeg10-Mar-2021/PALLADIUM/TS 33pin-Pd-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2229.15070393; Eh
thumbnail.jpeg10-Mar-2021/COPPER/TS 2a2pin-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-2574.28212818; Eh
thumbnail.jpeg10-Mar-2021/COPPER/TS 33dan-Cu-TSMaza Quiroga, Ricardo JoséGaussian; 16; ES64L-G16RevA.03Geometry optimization TSRwB97XDLANL2DZ 6-31G(D,P) GENECP-3311.92866685; Eh
Results 1-10 of 74 (Search time: 0.001 seconds).