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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 ch3seh-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-3403.82397845; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1170.99174721; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ooh-oTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1152.64020093; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch3-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1439.79637129; Eh
	30-Sep-2021	/DCM/TS_DCM ch3OTf-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1057.57204269; Eh
	30-Sep-2021	/DCM/TS_DCM ch3och3-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1116.78729240; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-514.710158984; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-248.073219569; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-470.635566742; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn_sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-571.061610886; Eh

Results 9921-9930 of 12842 (Search time: 0.008 seconds).