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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Mar-2018	scaf_rol3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	PBE	-	-1966.46681135; eV
	1-Dec-2017	/Racemization/Int Int	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.397886704; Eh
	6-Mar-2018	scaf_oh2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	PBE	-	-2023.35370336; eV
	6-Mar-2018	test	Fako, Edvin; Fako, Edvin; Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Nov 14 2017 10:53:45) complex	Geometry optimization	PBE	-	-1980.22190239; eV
	28-Jan-2019	Sys2_I4	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-1741.08593990; Eh
	28-Nov-2017	ol-RuNi-0011	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-386.54498454; eV
	6-May-2019	CP-2Pd-i24	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1123.50486956; eV
	6-May-2019	CP-2Pd-i25	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1131.35969317; eV
	8-May-2018	1_Int1	Fernández, Víctor	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UM06	lanl2dz; 6-31+g(d)	-1161.78191466; Eh
	8-May-2018	1_R3	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	lanl2dz; 6-31+g(d)	-1011.46459979; Eh

Results 17241-17250 of 104512 (Search time: 0.01 seconds).