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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required22-Aug-2022/Gaussian 9von Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1558.22593777; Eh
Login required22-Aug-2022/Gaussian TS2oxvon Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization TSUM06LDEF2SVP DEF2SVP/W06-1558.15186979; Eh
Login required13-Jun-2022/Reaction_mechanism Transition_state_TS6Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point MinimumUM06LDEF2TZVP DEF2SVP GEN-3136.53087938; Eh
Login required13-Jun-2022/Reaction_mechanism Intermediate_6Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.53584576; Eh
Login required13-Jun-2022/Reaction_mechanism Intermediate_7Ortuño Maqueda, Manuel AngelGaussian; 16; ES64L-G16RevC.01Single point StructureUM06LDEF2TZVP DEF2SVP GEN-3136.54804938; Eh
Login required22-Aug-2022/Gaussian 8von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1403.28607758; Eh
Login required22-Aug-2022/Gaussian TS3Aoxvon Wolff, NiklasGaussian; 16; AM64L-G16RevC.01Geometry optimization TSUM06LDEF2SVP DEF2SVP/W06-1559.35860485; Eh
Login required22-Aug-2022/Gaussian RuBPY+von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-3459.86822428; Eh
Login required22-Aug-2022/Gaussian 5von Wolff, NiklasGaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUM06LDEF2SVP DEF2SVP/W06-1404.47336424; Eh
thumbnail.jpeg6-Mar-2021N-TS0-2Yin, FangqianGaussian; 09; ES64L-G09RevD.01Geometry optimization TSUM06L6-31G* GENECP-1494.24863584; Eh
Results 581-590 of 659 (Search time: 0.001 seconds).