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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required28-Feb-2021/GeomOpt_wB97XD M12Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2336556; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M53Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.1196641; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M66Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.0715239; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M67Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.1139848; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M22_tripletFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDGEN-3959.23456260; Eh
Login required28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M27Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.59935172; Eh
Login required28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M5Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.61205015; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M43Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.11676279; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M39Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-1963.53365107; Eh
Login required28-Feb-2021/GeomOpt_wB97XD M27Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2398976; Eh
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