Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Feb-2019Ph-radMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM066-31+G(d,p)-231.388259783; Eh
thumbnail.jpeg5-Feb-2019I13-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06SDD; 6-31+G(d,p)-783.090432082; Eh
thumbnail.jpeg5-Feb-2019I14-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06SDD; 6-31+G(d,p)-884.049823702; Eh
thumbnail.jpeg5-Feb-2019I11-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06SDD; 6-31+G(d,p)-872.449143083; Eh
thumbnail.jpeg5-Feb-2019I12-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06SDD; 6-31+G(d,p)-546.333606506; Eh
thumbnail.jpeg5-Feb-2019I16-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06SDD; 6-31+G(d,p)-794.750388488; Eh
thumbnail.jpeg5-Feb-2019I15-CuMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06SDD; 6-31+G(d,p)-557.963411864; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-d-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.84799313; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-tLopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1749.01096832; Eh
thumbnail.jpeg28-Jan-2021/Optimizations Co-ppy-SCF3-q-+Lopez Resano, SaraGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LANL2DZ 6-31G* GENECP-1748.81743254; Eh
Results 11-20 of 37 (Search time: 0.001 seconds).