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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2017	/VCM_chlorination/16 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-913.59197456; eV
	9-May-2017	/VCM_chlorination/13 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-917.45113590; eV
	9-May-2017	/VCM_chlorination/17 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-917.28085105; eV
	9-May-2017	/VCM_chlorination/15 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-912.97224984; eV
	9-May-2017	/VCM_chlorination/13 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-916.98447574; eV
	9-May-2017	/VCM_chlorination/12 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-912.97248821; eV
	9-May-2017	/VCM_oxidation/20 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-916.46078839; eV
	9-May-2017	/VCM_oxidation/22 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-916.69992363; eV
	13-Jul-2017	/Deacon/VI initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Geometry optimization	-	-	-894.44447690; eV
	13-Jul-2017	/Deacon/II final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-890.79132776; eV

Results 31-40 of 54 (Search time: 0.001 seconds).