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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	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	MoO3_vac-Mdiss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-1215.62188840; eV
	16-Oct-2017	Fe2O3_HSE03-13	Hegner, Franziska Simone	vasp; 5.3.5; 31Mar14 (build Apr 25 2014 16:28:52) complex	Single point	-	-	-283.55862390; 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_diss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Geometry optimization	-	-	-1215.17307164; eV
	10-Jul-2017	MoO3_vac-G_diss	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-1215.57306676; eV
	10-Jul-2017	MoO3-TS_asso	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Improved Dimer Method	-	-	-1220.90999354; eV

Results 6081-6090 of 106051 (Search time: 0.006 seconds).