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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Dec-2017	s-3-Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-708.59870009; eV
	20-Dec-2017	d-12-Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-702.76399664; eV
	20-Dec-2017	d-12-Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-701.41058934; eV
	20-Dec-2017	d-11-Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-701.09574570; eV
	20-Dec-2017	d-12-Transition	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Frequencies	-	-	-700.85733507; eV
	20-Dec-2017	d-7a-Final	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-702.53755227; eV
	20-Dec-2017	d-4-Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-694.08858159; eV
	20-Dec-2017	d-1a-1-Transition	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Sep 08 2015 12:23:17) complex	Frequencies	-	-	-700.53729374; eV
	20-Dec-2017	d-1a-2-Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-700.80669235; eV
	20-Dec-2017	s-6-Initial	Scharfe, Matthias	vasp; 5.3.5; 31Mar14 (build Jun 03 2014 15:06:09) complex	Geometry optimization	-	-	-700.10451366; eV

Results 41-50 of 81 (Search time: 0.001 seconds).