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.jpeg28-Feb-2021/GeomOpt_wB97XD M11Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2254798; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M5Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDGEN-3959.21819834; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M31_tripletFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.59845748; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M61Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46565228; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M62Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46807328; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M56Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.47866429; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M54Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.47633425; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M51Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.48129099; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M47Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.47606417; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M46Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46401574; Eh
Results 431-440 of 462 (Search time: 0.001 seconds).