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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Jun-2018pristineOrtuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyGeometry optimizationPBE--4787.39457883; eV
thumbnail.jpeg27-Jun-2018defect-T_(T-1)Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyGeometry optimizationPBE--4761.84594140; 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-2018pristine-H2Ortuño, Manuelvasp; 5.3.5; 31Mar14 (build Jul 4 2017 10:03:46) gamma-onlyGeometry optimizationPBE--4794.27442968; eV
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