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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/TS_DCM ch3i-OTf-ts_6311+Gd_ch2lcl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-1013.09525341; 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
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-och3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-324.472166002; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-538.767306490; Eh
	9-Dec-2021	ch3i-cl-ts_6311+Gd_acetonitrile	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-511.704863978; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nh2 ch3nh2-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-250.495739362; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-776.574576633; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-452.085375600; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cl ch3cl-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-899.103024496; Eh
	30-Sep-2021	/DCM/EG_LG_DCM nch33_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-174.529697853; Eh

Results 10171-10180 of 12842 (Search time: 0.008 seconds).