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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2016	/oxidation/Ru(0001)+HHDMA 5O	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-343.87815904; eV
	1-Dec-2016	/oxidation/Ru(0001)+HHDMA 1O	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-320.57944488; eV
	1-Dec-2016	/ts 01_11_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Single point	-	-	-662.78149532; eV
	1-Dec-2016	/oxidation/Ru(0001) 1O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-149.03129006; eV
	1-Dec-2016	/oxidation/Ru(0001) 5O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-173.78007358; eV
	1-Dec-2016	/oxidation/Ru(0001) 4O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-169.51778849; eV
	1-Dec-2016	/oxidation/Ru(0001) 3O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-163.18266163; eV
	1-Dec-2016	/oxidation/Ru(0001) 7O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-185.52059665; eV
	1-Dec-2016	/oxidation/Ru(0001) 2O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-156.30329355; eV
	1-Dec-2016	/oxidation/Ru(0001) 6O	Li, Qiang	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Geometry optimization	-	-	-179.27597884; eV

Results 8461-8470 of 103542 (Search time: 0.008 seconds).