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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3f-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-578.033269289; Eh
	30-Sep-2021	/Water/TS_water ch3f-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-538.718925100; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-222.557168731; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-ncch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-227.635528960; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.359498100; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-168.345649381; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-578.049640569; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-452.050990707; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3f ch3f-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-477.624407430; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-265.259000384; Eh

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