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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/adducts_water/add_sch2ch3 ch3sch2ch3-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-955.649393240; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-916.342258020; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.360439179; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-nhcho_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-oh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-347.471746521; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-sch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-709.787176482; Eh
	30-Sep-2021	/DCM/TS_DCM ch3c6h5-och3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-386.785515173; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-ooh-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2428.04481177; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-och3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2392.19235740; Eh
	30-Sep-2021	/DCM/TS_DCM ch3ash2-i-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-2288.48505206; Eh

Results 10011-10020 of 12842 (Search time: 0.009 seconds).