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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Aug-2019CuIFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-307.631907640; Eh
Login required30-Aug-2019TSdirectransCuFBPMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1362.85085869; Eh
Login required30-Aug-2019TSdirectransCuPCsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1262.80245091; Eh
Login required30-Aug-2019TSLCuBpinCsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1285.28414845; Eh
Login required30-Aug-2019LCuBpinCsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-931.255188751; Eh
Login required30-Aug-2019TS-Cu-3-BpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1242.95140279; Eh
Login required30-Aug-2019CuFBP_Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1031.28438940; Eh
Login required30-Aug-2019TS2-Cu-3-BpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1242.97006040; Eh
Login required30-Aug-2019TS2Cu3CsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1262.78718961; Eh
Login required30-Aug-2019TSadductCuMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1412.37641201; Eh
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