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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2016	b-B-4+_Optimisation_and_Frequency_Calculation	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBEPBE	6-311G(d,p); LANL2DZ	-880.734016176; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Cat Cat	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	6-311G**	-1179.36751585; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Epoxyhexane Epoxyhexane	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-310.992191173; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS1 TS1	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1501.90504820; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/TS3 TS3	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	6-311G**	-1690.49440606; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/Iodide Iodide	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RM062X	-	-11.5129824486; Eh
	30-Jan-2019	/Solv_Opt/M06_2x/Reactants/CO2 CO2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-188.565876230; Eh
	22-Feb-2020	VIII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.29545990; Eh
	22-Feb-2020	XXI	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2906.42365817; Eh
	22-Feb-2020	TSVIII_X_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-3061.1899207; Eh

Results 17631-17640 of 104512 (Search time: 0.011 seconds).