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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-May-2021	A_	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G(D) GENECP	-1132.93419285; Eh
	1-Sep-2023	PIFAanion	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	DEF2TZVP	-1581.8857746; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-470.678405735; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-347.607489959; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-709.897042441; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3_i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-389.268525846; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-670.589312347; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cf3 ch3cf3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-492.960796065; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1166.76546020; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3f-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-371.546865650; Eh

Results 12211-12220 of 12354 (Search time: 0.008 seconds).