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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Dec-2017	vac-Ot_Mo(IV)_2x3	Rellán, Marcos	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Geometry optimization	-	-	-714.72155856; eV
	6-Aug-2020	/workfunctions Pt	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-212.38741255; eV
	13-Jul-2018	/B3LYPD3_calculations TS-c6-c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.76186996; Eh
	13-Jul-2018	/M06_calculations bh_TS_4_c2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.16258924; Eh
	13-Jul-2018	/M06_calculations bh_int1	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1740.21888844; Eh
	13-Jul-2018	/M06_calculations bh_MECP_T	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G**	-1620.79314396; Eh
	13-Jul-2018	/M06_calculations bh_c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1929.54549844; Eh
	13-Jul-2018	/B3LYPD3_calculations c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1471.84615333; Eh
	13-Jul-2018	/M06_calculations bh_H2O2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-151.535492574; Eh
	13-Jul-2018	/B3LYPD3_calculations alkyne	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-308.494717503; Eh

Results 12331-12340 of 104079 (Search time: 0.01 seconds).