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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg5-Nov-20188Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.65378135; eV
thumbnail.jpeg5-Nov-20189Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.68993178; eV
thumbnail.jpeg5-Nov-20186Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.66621823; eV
thumbnail.jpeg5-Nov-20187Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--872.32525414; eV
thumbnail.jpeg5-Nov-201813Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1645.11465487; eV
thumbnail.jpeg5-Nov-201811Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1745.03908288; eV
thumbnail.jpeg5-Nov-201810Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1744.90453972; eV
thumbnail.jpeg5-Nov-201812Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1644.98581747; eV
thumbnail.jpeg5-Nov-201815Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1645.10092586; eV
thumbnail.jpeg5-Nov-201814Capdevila-Cortada, Marçalvasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-onlyGeometry optimizationDFT--1645.01343891; eV
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