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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_ch3f ch3f-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-215.724963233; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-239.811534028; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-nhcho_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-309.247579367; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-294.366251726; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-c6h5_6311+Gd_ch2cl2-4sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-441.031557658; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-och2ch3_6311+Gd_ch2cl2_5sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-363.850675721; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-sch2ch3_6311+Gd_ch2cl2_3sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-686.863066618; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-br_6311+Gd_ch2cl2-1sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G GENECP*	-222.622667907; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-och3_6311+Gd_ch2cl2-3sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-324.518595680; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3nhcho ch3nhcho-Ts_6311+Gd_ch2cl2_2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1104.40048344; Eh

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