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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jul-2021	27CFL-OH	Espiñeira, Paula	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-oTs_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1412.51758189; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-671.990540253; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-691.919475990; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-994.975394890; Eh
	30-Sep-2021	/Water/adducts_water/add_sch2ch3 ch3sch2ch3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.661201234; Eh
	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)	-

Results 59671-59680 of 104128 (Search time: 0.036 seconds).