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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M58Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.47790403; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M72Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.0358841; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M73Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.0026343; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M74Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.0931922; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M41Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.1019228; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M43Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.11676279; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M42Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.11061176; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M28Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDGEN-3959.28171426; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M25Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2509999; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M24Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUwB97XDGEN-3959.18581037; Eh
Results 421-430 of 462 (Search time: 0.002 seconds).