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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_ch3nh2 ch3nh2-och2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-250.463049536; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-oh_6311+Gd_ch2cl2-2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-oTs_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1089.52083249; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-nhcho_6311+Gd_ch2cl2-1sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-265.345435264; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-cf3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-433.721048650; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-c6h5_6311+Gd_ch2cl2_1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-311+G(D)	-446.076220060; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-cn_6311+Gd_ch2cl22	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-188.875528231; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-nch33_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.423222228; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nh2 ch3nh2-br_6311+Gd_ch2cl2-5	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-109.233511313; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nch33 ch3nch33-br_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-

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