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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	/DCM/EG_LG_DCM cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-337.827957843; Eh
	30-Sep-2021	/DCM/EG_LG_DCM cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-92.9836995357; Eh
	30-Sep-2021	/DCM/EG_LG_DCM f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-100.016482929; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-552.151104890; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-674.722712294; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-307.305616650; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-311+G(D)	-446.071535538; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-691.902155745; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.357986099; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3nch33 ch3nch33-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-652.576157265; Eh

Results 9621-9630 of 12842 (Search time: 0.016 seconds).