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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-May-2020	XPS-4R-red-O-1s-410	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1944.19277493; eV
	5-May-2020	XPS-4R-red-O-1s-411	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1944.13685588; eV
	5-May-2020	XPS-4R-red-O-1s-412	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1944.25591647; eV
	5-May-2020	XPS-4R-red-O-1s-409	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	DFT	-	-1944.18111508; eV
	6-Aug-2020	/opt/intermediates/Ni/CI fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-198.98737016; eV
	12-Feb-2019	sa-CuNi-2423	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-219.02338549; eV
	12-Feb-2019	sa-IrCd-2513	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-444.15749296; eV
	12-Feb-2019	sa-IrAu-2402	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-435.63297757; eV
	21-Jul-2020	TS2-RL1-S-uncat	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	DEF2SVP	-1056.61794407; Eh
	21-Jul-2020	TS2-SL1-R-uncat	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	DEF2SVP	-1056.61898925; Eh

Results 20421-20430 of 103542 (Search time: 0.013 seconds).