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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-Jul-2018	/B3LYPD3_calculations c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1622.27265526; Eh
	13-Jul-2018	/M06_calculations bh_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-228.561679204; Eh
	13-Jul-2018	/M06_calculations bh_O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G**	-150.298142864; Eh
	18-Sep-2019	/F2F_20th-September-2019_ETH/Ag_metal_ads MC2_ads_Ag_111	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-586.21226982; eV
	22-Dec-2017	vac-O3c_2xMo(V)_3x3	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-1074.17185800; eV
	22-Dec-2017	vac-Ot_2xMo(V)_3x2	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-714.88948272; eV
	22-Dec-2017	vac-Ot_Mo(IV)_3x2	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-714.70217391; eV
	4-Mar-2020	/TD_DFT/monomer_2pyr monomer_2pyr	Petrus, Enric	ADF; 2019	Single point	SAOP	TZP	-
	13-Jul-2018	/M06_calculations bh_c8_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2006.60092827; Eh
	13-Jul-2018	/M06_calculations bh_c6_yne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.54657591; Eh

Results 10391-10400 of 104592 (Search time: 0.009 seconds).