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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Aug-2024	geom227_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.962867; Eh
	13-Jul-2018	/M06_calculations bh_TS_c4_c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1470.93539337; Eh
	13-Jul-2018	/M06_calculations bh_TS_c8_c9	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1777.97572387; Eh
	13-Jul-2018	/B3LYPD3_calculations c7	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1930.78635869; Eh
	13-Jul-2018	/B3LYPD3_calculations c1	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1817.80421985; Eh
	13-Jul-2018	/M06_calculations bh_c1	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.65964985; Eh
	13-Jul-2018	/M06_calculations bh_int4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1587.61719130; Eh
	13-Jul-2018	/M06_calculations bh_c10	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1470.93986042; Eh
	13-Jul-2018	/M06_calculations bh_c3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1588.07568608; Eh
	13-Jul-2018	/B3LYPD3_calculations OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-228.697666228; Eh

Results 12341-12350 of 104079 (Search time: 0.01 seconds).