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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.jpeg1ru-hydrideOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4760.10708060; eV
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.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.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.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.jpegdefect-L-ethyl_(L-6)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4802.23829460; eV
thumbnail.jpegdefect-L-butyl_(L-8)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4835.01456984; eV
thumbnail.jpegdefect-L-butene_(ls-L-9)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4835.83292497; eV
thumbnail.jpeg1ru-buteneOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4827.09898229; eV
thumbnail.jpegdefect-T-butyl-TS_(T-TS8)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4836.50209869; eV
thumbnail.jpegdefect-L-formyl-1Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4784.98478478; eV
thumbnail.jpegdefect-L-H2-TS_(L-TS2)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4768.22524607; eV
thumbnail.jpegdefect-L-2H-ethylene-TS_(L-TS5)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4801.56152221; eV
thumbnail.jpegdefect-L-2H-ethylene_(L-5)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyPBE--4801.82796396; eV
thumbnail.jpegdefect-L-butyl-TS_(ls-L-TS8)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyPBE--4835.51144499; eV
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