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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_ch3oh ch3oh-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.351810389; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oh ch3oh-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1010.89373403; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oh ch3oh-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-127.345670974; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oh ch3oh-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-514.718633385; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3i ch3i-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-669.629361825; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-146.090275200; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-66.4477485703; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-452.053225039; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-129.071295784; Eh

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