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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	FL-OH	Espiñeira, Paula	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	23-Jul-2021	FL	Espiñeira, Paula	ADF; 2016	Geometry optimization	PBE	TZ2P	-
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-363.885200450; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-686.870192021; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-647.544177209; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-324.555964125; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.664996506; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1104.41195750; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.409974695; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nhcho ch3nhcho-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-285.255106810; Eh

Results 58851-58860 of 104126 (Search time: 0.041 seconds).