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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-20232-B10Br9N2_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23526.9874325; Eh
thumbnail.jpeg13-Jul-20232-B10Br9He_(-)Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-23420.2705115; Eh
thumbnail.jpeg13-Jul-20231-B10Cl9_to_2-B10Cl9_Kawa, SebastianGaussian; 16; ES64L-G16RevC.01Geometry optimization TSRB3LYPDEF2QZVPP-4391.39150089; Eh
thumbnail.jpeg13-Jul-2023B12I11(H2O)_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-3651.51830059; Eh
thumbnail.jpeg13-Jul-2023B12Br11_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-28615.7534695; Eh
thumbnail.jpeg13-Jul-2023B12I11_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization MinimumRB3LYPDEF2QZVPP-3574.94852802; Eh
thumbnail.jpeg13-Jul-20231-B10I9(N2)_to_2-B10I9(N2)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization TSRB3LYPDEF2QZVPP-3039.01635468; Eh
thumbnail.jpeg13-Jul-20231-B10I9(CO)_to_2-B10I9(CO)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization TSRB3LYPDEF2QZVPP-3042.84164485; Eh
thumbnail.jpeg13-Jul-2023B10I10_(2-)_to_1-B10l9_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization StructureRB3LYPDEF2QZVPP-3227.26037316; Eh
thumbnail.jpeg13-Jul-2023B10I10_(2-)_to_2-B10I9_(-)Kawa, SebastianGaussian; 16; AS64L-G16RevC.01Geometry optimization TSRB3LYPDEF2QZVPP-3227.27168721; Eh
Results 91-100 of 122 (Search time: 0.001 seconds).