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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jun-2018cluster-M06-L-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LSDD; 6-31G**; 6-31+G*-3839.63421084; Eh
thumbnail.jpeg27-Jun-2018cluster-M06-L-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUM06LSDD; 6-31G**; 6-31+G*-3839.62044252; Eh
thumbnail.jpeg27-Jun-2018cluster-PBE-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD; 6-31G**; 6-31+G*-3836.29998559; Eh
thumbnail.jpeg27-Jun-2018cluster-PBE-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUPBEPBESDD; 6-31G**; 6-31+G*-3836.28872365; Eh
thumbnail.jpeg27-Jun-2018defect-L-2H-H2_(L-4)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4775.89536069; eV
thumbnail.jpeg27-Jun-2018defect-T-butene_(T-9)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4836.74954966; eV
thumbnail.jpeg27-Jun-2018defect-L-2H_(L-3)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4768.92930850; eV
thumbnail.jpeg27-Jun-2018defect-L-CO-1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4785.40413722; eV
thumbnail.jpeg27-Jun-20181ru-hydrideOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4760.10708060; eV
thumbnail.jpeg27-Jun-2018pristine-HSEOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexSingle pointPBE--5210.28645131; eV
Results 1-10 of 45 (Search time: 0.002 seconds).