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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Aug-2019CuLBpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-911.434911245; Eh
Login required30-Aug-2019CuLFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-757.281742080; Eh
Login required30-Aug-2019TSdirectransCuPCsMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1262.80245091; Eh
Login required30-Aug-2019TS-Cu-3-BpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1242.95140279; Eh
Login required30-Aug-2019TS2-Cu-3-BpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1242.97006040; Eh
Login required30-Aug-2019TSdirecttransIMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-793.336510929; Eh
Login required30-Aug-2019CuIBpinMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-461.791925968; Eh
Login required30-Aug-2019TS-Cu3Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1088.80445535; Eh
Login required30-Aug-2019CsCuIFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-327.491016882; Eh
Login required30-Aug-2019CuIFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-307.631907640; Eh
Results 61-70 of 96 (Search time: 0.001 seconds).