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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/TS_DCM ch3sch3-Ts-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1373.10986706; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-Ts-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1104.30343141; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och3-Ts-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1050.10209088; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sh-Ts-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1333.79482398; Eh
	30-Sep-2021	/DCM/TS_DCM ch3oh-Ts-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1010.78919977; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-sch2ch3_6311+Gd-	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-916.325116108; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-sch3ch2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-916.325127551; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-670.494407894; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-815.898735642; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-571.053687307; Eh

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