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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_ch3nh2 ch3nh2-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-195.921833880; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-368.919335648; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-329.589480742; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-290.286605309; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-oTs_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1412.51758189; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-671.990540253; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-691.919475990; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-994.975394890; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.661201234; Eh

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