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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-207.753322817; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-363.883479328; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-309.678413634; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.377603306; Eh
	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)	-
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/TS_water ch3ash2-sch2ch3-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2754.52714767; Eh
	30-Sep-2021	/Water/TS_water ch3ash2-sch3-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2715.20098604; Eh
	30-Sep-2021	/Water/TS_water ch3ash2-seh-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-4679.22747208; Eh

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