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Showing results 31630 to 31649 of 32044 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-Feb-2020XGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.32443088; Eh
thumbnail.jpeg22-Feb-2020X_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2219364; Eh
thumbnail.jpeg22-Feb-2020XIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.31952461; Eh
thumbnail.jpeg22-Feb-2020XI_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2202663; Eh
thumbnail.jpeg22-Feb-2020XIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.31872353; Eh
thumbnail.jpeg22-Feb-2020XII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2198482; Eh
thumbnail.jpeg22-Feb-2020XIIIGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.32677951; Eh
thumbnail.jpeg22-Feb-2020XIII_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2283044; Eh
thumbnail.jpeg22-Feb-2020XIVGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-3060.33694360; Eh
thumbnail.jpeg22-Feb-2020XIV_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-3061.2353749; Eh
thumbnail.jpeg22-Feb-2020XIXGarcía, CristinaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GENECP-2981.43050586; Eh
thumbnail.jpeg22-Feb-2020XIX_sp_basissetGarcía, CristinaGaussian; 09Single point StructureRB3LYPGENECP-2982.3123692; Eh
Login required12-Aug-2021/XPS XPS-Cu(100)-1Sn-Cu-2pDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--477.01110669; eV
Login required12-Aug-2021/XPS XPS-Cu(100)-1Sn-refDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--191.59889401; eV
Login required12-Aug-2021/XPS XPS-Cu(100)-1Sn-Sn-3dDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--147.11403027; eV
Login required12-Aug-2021/XPS XPS-Cu(100)-Cu-2pDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--476.06207988; eV
Login required12-Aug-2021/XPS XPS-Cu(100)-refDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--190.46374351; eV
Login required12-Aug-2021/XPS XPS-Cu(111)-1Sn-Cu-2pDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--478.67334233; eV
Login required12-Aug-2021/XPS XPS-Cu(111)-1Sn-refDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--193.13380234; eV
Login required12-Aug-2021/XPS XPS-Cu(111)-1Sn-Sn-3dDattila, Federicovasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complexSingle pointDFT--149.32430739; eV