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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Dec-2017d-4-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---694.08858159; eV
thumbnail.jpeg20-Dec-2017s-12-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---708.53944209; eV
thumbnail.jpeg20-Dec-2017d-12-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---701.41058934; eV
thumbnail.jpeg20-Dec-2017d-1-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---694.09486329; eV
thumbnail.jpeg20-Dec-2017s-6-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---699.68719920; eV
thumbnail.jpeg20-Dec-2017s-7-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---709.20289564; eV
thumbnail.jpeg20-Dec-2017s-3-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---706.61444821; eV
thumbnail.jpeg20-Dec-2017s-2-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---698.93322795; eV
thumbnail.jpeg20-Dec-2017d-1-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---693.32704177; eV
thumbnail.jpeg20-Dec-2017d-1a-1-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---701.72077056; eV
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