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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_ch3och3 ch3och3-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-168.419471365; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-166.647172155; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oh ch3oh-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-215.778920789; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-oTs_6311+Gd_ch2cl2-2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-1050.18470078; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-nch33_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-329.608659209; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-nh2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-211.107026261; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oh ch3oh-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-231.000881994; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-615.477422852; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-554.023735746; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3oh ch3oh-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-127.332089072; Eh

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