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/water//water complexes aq-cntame4piramBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-309.5356297; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-h2rhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-492.6888942; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes imidazolticl3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-1665.15771974; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnfecl3-Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1597.889141; Eh
thumbnail.jpeg9-Nov-2018/noDisp/complexes sin-herhh2o5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-494.3886615; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnfecl2sextupBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-31+g*; sdd-1137.2687875; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnZrCl5Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2441.5983255; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-clznch3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-727.3447469; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-cnniph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-607.1007239; Eh
thumbnail.jpeg9-Nov-2018/water//water complexes aq-closo3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-776.3361555; Eh
Results 4141-4150 of 12842 (Search time: 0.004 seconds).