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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Aug-2019IntprevTS2CuMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1905.05063646; Eh
Login required30-Aug-2019TS_form_adduct_CuMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-835.678513296; Eh
Login required30-Aug-2019Int2_transMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1577.51522380; Eh
Login required30-Aug-2019ArF_ReactiveMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G(D,P)-331.586073131; Eh
Login required30-Aug-2019TSdirecttransCuPMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1242.97784276; Eh
Login required30-Aug-2019CuTS_alterMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1167.22935538; Eh
Login required30-Aug-2019Int-trans-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-962.123412740; Eh
Login required30-Aug-2019Int-cis-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-962.119470474; Eh
Login required30-Aug-2019TSLCuBpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1265.45259538; Eh
Login required30-Aug-2019CuLBpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-911.434911245; Eh
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