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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_ch3nhcho ch3nhcho-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-324.555964125; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.664996506; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1104.41195750; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.409974695; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-285.255106810; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-608.237024722; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-287.402536250; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-oTs_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1027.93441126; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-144.381141042; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-ooh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-342.014954987; Eh

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