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Showing results 192549 to 192568 of 193707 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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-2017d-1-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---694.50367727; 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-10-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---701.47181243; eV
thumbnail.jpeg20-Dec-2017d-10-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---702.38833034; eV
thumbnail.jpeg20-Dec-2017d-10-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---700.65991611; eV
thumbnail.jpeg20-Dec-2017d-11-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---701.09574570; eV
thumbnail.jpeg20-Dec-2017d-11-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---702.17875706; eV
thumbnail.jpeg20-Dec-2017d-11-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---701.21741122; 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-12-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---702.76399664; eV
thumbnail.jpeg20-Dec-2017d-12-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---700.85733507; eV
thumbnail.jpeg20-Dec-2017d-13-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---701.10724402; eV
thumbnail.jpeg20-Dec-2017d-13-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---702.21114721; eV
thumbnail.jpeg20-Dec-2017d-13-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexFrequencies---701.02619077; eV
thumbnail.jpeg20-Dec-2017d-15-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---701.47181243; eV
thumbnail.jpeg20-Dec-2017d-15-InitialScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---700.65329528; eV
thumbnail.jpeg20-Dec-2017d-15-TransitionScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---698.94296508; eV
thumbnail.jpeg20-Dec-2017d-1a-1-FinalScharfe, Matthiasvasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complexGeometry optimization---700.80669235; 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