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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/adducts_DCM/add_ch3cn ch3cn-cn_6311+Gd-3	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sh ch3sh-nh2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-494.771331471; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-oTs-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1085.95216321; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-cl-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-651.247343368; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-sh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-589.811222543; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-oh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-266.813510844; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-f-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-290.878559793; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-ooh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-341.980020867; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3sh ch3sh-nch33_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-613.273338057; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3i ch3i-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-528.901608909; Eh

Results 9961-9970 of 12842 (Search time: 0.008 seconds).