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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jan-2019	/Solv_Opt/B3LYP/Int2 Int2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-1691.39300238; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/TS2 TS2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	6-311G**	-1691.38376731; Eh
	26-Aug-2024	geom3_w6_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-458.5918786; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS_isom TS_isom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.50463167; Eh
	30-Jan-2019	/Solv_Opt/B3LYP/Int2_l Int2_l	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311G**	-1691.40463863; Eh
	22-Feb-2020	TSVIII_X	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.29164633; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/FC FC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1679.01434884; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Int_1 Int_1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1501.93141917; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/IC IC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1490.41004360; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/CC CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-499.599892121; Eh

Results 17621-17630 of 104512 (Search time: 0.011 seconds).