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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_ch3cl ch3cl-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-938.412698138; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-513.500264315; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-511.732700202; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-899.105518530; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-600.180760454; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-960.559625821; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-214.312576730; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3f ch3f-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-153.139688544; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3f ch3f-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-600.199142751; Eh
	30-Sep-2021	/Water/ch3-EG_LG_water ch3sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-517.387909229; Eh

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