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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/adducts_DCM/add_ch3nch33 ch3nch33-och2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-368.906512858; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-cn_6311+Gd_ch2cl2-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-364.628792901; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-nh2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.353137286; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-nh2_6311+Gd_ch2cl2-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-327.673195461; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-sch2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-749.227949790; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-sch3_6311+Gd_ch2cl2-3sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-652.579136893; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-sch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-709.900109325; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-cf3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-609.474389110; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-och3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-329.575267419; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-br_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-284.986919098; Eh

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