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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-cohgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-289.8331206; Eh
	8-Nov-2018	/water/complexes aq-faucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1616.459205; Eh
	30-Sep-2021	/Water/TS_water ch3f-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-151.327314453; Eh
	8-Nov-2018	/water/complexes aq-ch3-hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-216.5554857; Eh
	13-Jul-2018	/M06_calculations bh_c6	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1621.29321850; Eh
	13-Jul-2018	/M06_calculations bh_TS_c8_c9_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-2006.57663628; Eh
	13-Jul-2018	/M06_calculations bh_TS_c1_4	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1816.63883838; Eh
	13-Jul-2018	/M06_calculations bh_TS_c4_c5	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1699.53499722; Eh
	13-Jul-2018	/M06_calculations bh_TS_1_Cl	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1968.76813804; Eh
	13-Jul-2018	/M06_calculations bh_TS_3_OAc	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G**	-1736.97024286; Eh

Results 1951-1960 of 12842 (Search time: 0.005 seconds).