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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_ch3nch33 ch3nch33-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-383.792727165; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1109.45084216; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-613.268835920; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-709.819280955; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-oTs_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1373.19633501; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-955.649870096; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-652.593938495; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1333.87387982; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-617.417698883; Eh

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