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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-500.154458967; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-327.648062334; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-227.663347648; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.423410015; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-991.021203897; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-225.895673744; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-265.367572366; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-314.343871568; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-

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