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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Jul-2017	Keggin-TS_epim(no-O3H)	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-538.34522901; eV
	10-Jul-2017	Keggin-TS_epim	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-545.05219460; eV
	9-May-2017	/C2H4_oxidation/11a final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-906.47083768; eV
	9-May-2017	/VCM_chlorination/16 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-912.87412740; eV
	9-May-2017	/C2H4_oxidation/9 initial	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-922.94083448; eV
	9-May-2017	/VCM_oxidation/21 final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-916.69992363; eV
	16-Oct-2017	H2O-solv_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.3; 18Dez12 (build Aug 29 2016 09:59:29) complex	Geometry optimization	-	-	-16.68922401; eV
	9-Oct-2017	porphine-on-Au(100)_	Shahrokhi, Masoud	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-655.26478864; eV
	9-Oct-2017	aniline-on-Au(110)	Shahrokhi, Masoud	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-344.71072503; eV
	13-Jul-2017	/Deacon/VI final	Higham, Michael	vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex	Geometry optimization	-	-	-894.33255620; eV

Results 1271-1280 of 2385 (Search time: 0.001 seconds).