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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/EG_LG_water hse_611Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2402.30145274; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-302.275449127; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3ash2_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2276.99313921; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3hse_6311+Gd_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-2442.07152909; Eh
	30-Sep-2021	/Water/TS_water ch3nhcho-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-440.988421398; Eh
	30-Sep-2021	/Water/TS_water ch3nhcho-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/TS_water ch3nhcho-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-302.201713066; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/TS_DCM ch3hcooo-c6h5-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-536.022378096; Eh
	30-Sep-2021	/DCM/TS_DCM ch3hcooo-i-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-315.803043139; Eh

Results 9501-9510 of 12842 (Search time: 0.009 seconds).