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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jun-2018defect-L-ethyl-ethylene_(L-7)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4834.72862489; eV
thumbnail.jpeg27-Jun-2018defect-T-ethyl-ethylene_(T-7)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4836.18886259; eV
thumbnail.jpeg27-Jun-2018defect-L-butyl_(ls-L-8)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyFrequenciesPBE--4835.51192429; eV
thumbnail.jpeg27-Jun-2018defect-L_(L-1)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyGeometry optimizationPBE--4761.32434732; eV
thumbnail.jpeg27-Jun-2018defect-L-H2_(L-2)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyFrequenciesPBE--4768.57459471; eV
thumbnail.jpeg27-Jun-2018pristine-H2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyGeometry optimizationPBE--4794.27442968; eV
Results 221-226 of 226 (Search time: 0.001 seconds).