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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Aug-2021Ru_pbp_6_VAC_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1462.04486455; Eh
thumbnail.jpeg4-Jun-201813DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1856.40547773; Eh
thumbnail.jpeg4-Jun-2018DimethylamineArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-135.070343757; Eh
thumbnail.jpeg4-Jun-2018DMFArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-248.370882384; Eh
thumbnail.jpeg28-Aug-2021Ru_oct_desorbed_3_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1707.52915506; Eh
thumbnail.jpeg28-Aug-2021Ru_oct_desorbed_2_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1861.19054960; Eh
thumbnail.jpeg28-Aug-2021Ru_oct_desorbed_1_O6Craig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSShLANL2DZ 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN-1876.13008420; Eh
thumbnail.jpeg28-Aug-2021Ru_41a_1_OH_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1576.26353428; Eh
thumbnail.jpeg28-Aug-2021Ru_3a1_4_oxo_LSCraig, MichaelGaussian; 09; ES64L-G09RevE.01Geometry optimization MinimumUTPSSh6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN-1715.40855958; Eh
thumbnail.jpeg4-Jun-201814FArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2007.57055818; Eh
Results 281-290 of 1523 (Search time: 0.001 seconds).