Search        

Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-coircoph32Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1017.2156363; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cofecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1157.4075745; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-corhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-604.8781155; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-comosh3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1377.7155427; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-cnznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-359.9108083; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-coznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-380.1009044; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-coticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1552.1473428; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-fauph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-578.8113553; Eh
thumbnail.jpeg3-Oct-2019water_sp2_ts_pdpme32_s_translliulliuBesora, MariaGaussian; 09; EM64L-G09RevA.02Geometry optimization TSRB3LYP6-31+G(D,P) SDD GEN-3853.28393345; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes sime3nipf33Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2503.37446987; Eh
Results 11241-11250 of 12354 (Search time: 0.008 seconds).