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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required30-Aug-2019TSiso-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-962.117613816; Eh
Login required30-Aug-2019CuLFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-757.281742080; Eh
Login required30-Aug-2019PrevTS2CuMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-311G** GEN-1905.04075903; Eh
Login required30-Aug-2019TSLCuFMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1385.32017405; 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
Login required30-Aug-2019TSdirectransCuFBPMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ 6-311G** GEN-1362.85085869; Eh
Results 21-30 of 104 (Search time: 0.002 seconds).