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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2016	/intermediateds 11_r	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Geometry optimization	-	-	-663.56288627; eV
	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	Dawson-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Improved Dimer Method	-	-	-773.15241280; eV
	10-Jul-2017	Keggin-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Improved Dimer Method	-	-	-545.59036880; eV
	10-Jul-2017	Dawsson-TS_epim	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-772.41761892; eV
	10-Jul-2017	Dawson-M_diss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-773.56549338; eV
	10-Jul-2017	Dawson-G_diss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-773.52467024; 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
	10-Jul-2017	MoO3_vac-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1215.03722240; eV
	10-Jul-2017	MoO3_vac-TS_epim	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1214.69932845; eV

Results 21-30 of 1420 (Search time: 0.002 seconds).