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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 O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-150.377261042; Eh
	13-Jul-2018	/B3LYPD3_calculations c5-O2-T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311++G**	-1621.77083293; Eh
	13-Jul-2018	/B3LYPD3_calculations c5-O2-S	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1621.79357470; Eh
	13-Jul-2018	/B3LYPD3_calculations 5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2904.39024100; Eh
	13-Jul-2018	/B3LYPD3_calculations 1	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1740.99750973; Eh
	13-Jul-2018	/B3LYPD3_calculations MECP	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1621.75006122; Eh
	13-Jul-2018	/B3LYPD3_calculations c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1817.31242439; Eh
	13-Jul-2018	/B3LYPD3_calculations c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1589.08044526; Eh
	23-Jul-2018	/2butyne/Ni/111/1H C4H6	Navarro-Ruiz, Javier; Cornu, Damien	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 19 2018 16:46:10) complex	Geometry optimization	DFT	-	-309.32446255; eV
	22-Dec-2017	/HSE06_vacancy_calculations vac-Ot_2xMo(V)_3x3-HSE06	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 15:16:02) gamma-only	Geometry optimization	-	-	-1503.57168640; eV

Results 10461-10470 of 104592 (Search time: 0.009 seconds).