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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/adducts_water/add_ch3oTs ch3Ts-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1333.81954259; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1089.46723036; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1830.00642927; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1272.69865414; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-sh_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1373.12680424; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1050.13790712; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1412.45282216; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1373.12680337; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1104.34126085; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1027.85358465; Eh

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