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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-oh_6311+Gd_ch2cl2-4sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-285.209406475; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3c6h5 ch3c6h5-c6h5_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-503.395736711; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-c6h5_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-609.444324889; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-nhcho_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-547.145441504; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-532.263753547; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3_nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-433.722085046; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sh ch3sh-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-452.084577747; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-oTs_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-946.428103647; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-nhcho_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G GENECP*	-220.768882509; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-528.898674177; Eh

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