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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jan-2016	TS5(Freq)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RPBEPBE	6-311G(d,p); LANL2DZ	-5146.11839579; Eh
	29-Jan-2016	TS4(Opt)	Serapian, Stefano	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	-	6-311G(d,p); LANL2DZ	-5146.12148136; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oh ch3oh-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	6-311+G(D)	-231.037752072; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3och3 ch3och3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/adducts_water/add_ch3och3 ch3och3-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Structure	RB3LYP	6-311+G(D)	-
	1-Oct-2021	CyCOO_Cs	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Structure	RB3LYP	TZVP DEF2SVP GEN	-444.265897647; Eh
	13-Sep-2023	zrcl5-H2eta1_vacuum1	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB3LYP	6-31+G SDD GENECP*	-2349.66847119; Eh
	13-Sep-2023	ticl3_H2eta1_vacuum1	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Structure	RB3LYP	6-31+G SDD GENECP*	-1439.97325660; Eh

Results 91-100 of 116 (Search time: 0.001 seconds).