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Showing results 193541 to 193560 of 193692 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Dec-2017s-1-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---700.98416238; eV
thumbnail.jpeg20-Dec-2017s-1-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---700.06159253; eV
thumbnail.jpeg20-Dec-2017s-1-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---698.64506108; eV
thumbnail.jpeg20-Dec-2017s-10-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---708.47099253; eV
thumbnail.jpeg20-Dec-2017s-10-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---710.00067524; eV
thumbnail.jpeg20-Dec-2017s-10-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---707.72739085; eV
thumbnail.jpeg20-Dec-2017s-11-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---708.41733060; eV
thumbnail.jpeg20-Dec-2017s-11-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---709.25219335; eV
thumbnail.jpeg20-Dec-2017s-11-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---708.05444437; 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-2017s-12-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---709.81706827; eV
thumbnail.jpeg20-Dec-2017s-12-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---707.83019719; eV
thumbnail.jpeg20-Dec-2017s-13-finalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---708.50446828; eV
thumbnail.jpeg20-Dec-2017s-13-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---709.25046650; eV
thumbnail.jpeg20-Dec-2017s-13-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---707.49292326; eV
thumbnail.jpeg20-Dec-2017s-2-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---700.26168332; eV
thumbnail.jpeg20-Dec-2017s-2-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---699.96512395; 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-2017s-3-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---707.82492372; eV
thumbnail.jpeg20-Dec-2017s-3-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---708.59870009; eV