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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M35Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XDGEN-3880.68419829; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M34Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUwB97XDGEN-3880.66372559; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M27Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2398976; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M31_tripletFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDGEN-3959.26639139; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M22_tripletFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point StructureUwB97XDGEN-3959.23456260; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M23Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Single point MinimumUwB97XDGEN-3959.27139621; 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
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M32Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2773338; Eh
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