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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg2-Apr-2025TS_air_1Cao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUM062XDEF2SVP-1423.30303882; Eh
thumbnail.jpeg2-Apr-2025TS_3_4H_Cao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUM062XDEF2SVP-1343.94573547; Eh
thumbnail.jpeg2-Apr-20253_optCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062XDEF2SVP-1343.94679271; Eh
thumbnail.jpeg2-Apr-2025AIR_optCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062XDEF2SVP-1423.33014506; Eh
thumbnail.jpeg2-Apr-20251_optCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062XDEF2SVP-1423.33132833; Eh
thumbnail.jpeg2-Apr-20252_optCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062XDEF2SVP-1343.95071527; Eh
thumbnail.jpeg2-Apr-20255H_optCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062XDEF2SVP-1343.99167634; Eh
thumbnail.jpeg2-Apr-20254H_optCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumUM062XDEF2SVP-1343.94983247; Eh
thumbnail.jpeg2-Apr-2025TS_4H_5HCao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUM062XDEF2SVP-1343.93028687; Eh
thumbnail.jpeg2-Apr-2025TS_4_5Cao, YumengGaussian; 16; ES64L-G16RevC.01Geometry optimization TSUM062XDEF2SVP-1343.59628128; Eh
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