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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegdefect-T-2H-ethylene_(T-5)Ortuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 06 2018 10:40:09) gamma-only---4803.29053135; eV
thumbnail.jpegdefect-T-2H-ethylene-TS_(T-TS5)Ortuño, Manuelvasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 06 2018 10:40:09) gamma-only---4802.99501147; eV
thumbnail.jpegcluster-M06-L-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01UM06LSDD; 6-31G**; 6-31+G*-3839.63421084; Eh
thumbnail.jpeg1ru-hydrideOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4760.10708060; eV
thumbnail.jpegcluster-M06-L-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01UM06LSDD; 6-31G**; 6-31+G*-3839.62044252; Eh
thumbnail.jpegdefect-L-CO-1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4785.40413722; eV
thumbnail.jpegdefect-L-2H_(L-3)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4768.92930850; eV
thumbnail.jpegpristine-HSEOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complexPBE--5210.28645131; eV
thumbnail.jpegdefect-L-2H-H2_(L-4)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4775.89536069; eV
thumbnail.jpegcluster-PBE-2Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01UPBEPBESDD; 6-31G**; 6-31+G*-3836.28872365; Eh
thumbnail.jpegcluster-PBE-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01UPBEPBESDD; 6-31G**; 6-31+G*-3836.29998559; Eh
thumbnail.jpegdefect-T-butene_(T-9)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4836.74954966; eV
thumbnail.jpegdefect-L-CO-2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4784.63991075; eV
thumbnail.jpegdefect-L-ethyl-ethylene_(ls-L-7)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4835.28640654; eV
thumbnail.jpegdefect-L-butene_(L-9)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyPBE--4835.27747876; eV
thumbnail.jpegdefect-L-ethyl-ethylene-TS_(ls-L-TS7)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4834.33474844; eV
thumbnail.jpegdefect-T-butyl_(T-8)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4836.51554727; eV
thumbnail.jpegdefect-L-butyl-TS_(L-TS8)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4835.01143969; eV
thumbnail.jpegdefect-L-formyl-2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4785.22654678; eV
thumbnail.jpegcluster-M06-L-6Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01UM06LSDD; 6-31G**; 6-31+G*-3839.58221330; Eh
thumbnail.jpegdefect-L-ethyl-ethylene-TS_(L-TS7)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4833.82446086; eV
thumbnail.jpegcluster-B3LYP-4Ortuño, ManuelGaussian; 09; EM64L-G09RevD.01UB3LYPSDD; 6-31G**; 6-31+G*-3839.93524076; Eh
thumbnail.jpegcluster-M06-L-2-spOrtuño, ManuelGaussian; 09; EM64L-G09RevD.01UM06LSDD; 6-31G**; 6-31+G*-3839.63400051; Eh
thumbnail.jpegpristineOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4787.39457883; eV
thumbnail.jpegdefect-L-ethyl_(L-6)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4802.23829460; eV
Results 1-25 of 45 (Search time: 0.005 seconds).