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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Aug-2019TSadductMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1590.17720908; Eh
Login required30-Aug-2019TS1Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1423.26370979; Eh
Login required30-Aug-2019phosphineMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G(D,P)-461.171818035; Eh
Login required30-Aug-2019CsFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-119.794953733; Eh
Login required30-Aug-2019CuIMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ GEN-207.600783720; Eh
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-2019TS2CuafterMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1905.04994877; Eh
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