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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_ch3br ch3br-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-390.935781326; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-731.907760040; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-och2ch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-654.755171824; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-oTs_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-948.228579865; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.360439703; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1395.28066096; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-64.6804865772; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-153.128388135; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3f ch3f-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1034.91985370; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-615.426147634; Eh

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