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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	/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/TS_DCM ch3ash2-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-3238.71064571; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-OTf-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1233.29387335; Eh
	30-Sep-2021	/DCM/TS_DCM ch3OTf-OTs-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1896.64036609; Eh
	30-Sep-2021	/DCM/TS_DCM ch3nhcho-och2ch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-363.802664658; Eh
	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

Results 60691-60700 of 104157 (Search time: 0.035 seconds).