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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-nch33_6311+Gd-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-311+G(D)	-307.331640764; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.335662344; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sch3 ch3sch3-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-489.643708810; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-248.073219569; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-470.635566742; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn_sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-571.061610886; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn_cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.208183314; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-208.772515290; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-232.822370621; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cn ch3cn-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-225.791107585; Eh

Results 1411-1420 of 2868 (Search time: 0.004 seconds).