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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jun-2018cluster-B3LYP-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPSDD; 6-31G**; 6-31+G*-3839.93524076; Eh
thumbnail.jpeg27-Jun-2018cluster-B3LYP-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPSDD; 6-31G**; 6-31+G*-3839.91208792; Eh
thumbnail.jpeg2-Apr-2020B_doublet_cationic_(Cu-NO)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-1844.40179659; Eh
thumbnail.jpeg2-Apr-2020NOOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31G** 6-31+G* GEN-129.890638412; Eh
thumbnail.jpeg2-Apr-2020B-2_doublet_(Cu-NO)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-2269.08711119; Eh
thumbnail.jpeg2-Apr-2020B_doublet_(Cu-NO)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-2269.09771585; Eh
thumbnail.jpeg2-Apr-2020C-4_triplet_(Cu-N2O2)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-2398.98253982; Eh
thumbnail.jpeg2-Apr-2020C-3_triplet_(Cu-N2O2)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-2398.99087987; Eh
thumbnail.jpeg2-Apr-2020C-2_triplet_(Cu-N2O2)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-2398.99482383; Eh
thumbnail.jpeg2-Apr-2020C_triplet_(Cu-N2O2)Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPSDD 6-31G** 6-31+G* GEN-2399.00105697; Eh
Results 1-10 of 14 (Search time: 0.001 seconds).