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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_ch3oTs ch3Ts-sh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1333.81549039; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oTs ch3Ts-f_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1034.88515815; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-f_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-309.297476580; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-oh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-208.740998976; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-br_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-146.147918771; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn_cl_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.205726322; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn_sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-571.060576522; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3_i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-389.263081460; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-144.375202779; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cn ch3cn-cn_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-225.789686836; Eh

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