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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	/Water/adducts_water/add_ch3br ch3br-Ts_6311+Gd-3	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-948.228583078; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-c6h5_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-284.855633295; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-837.988169327; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.142532149; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-576.123630256; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3f ch3f-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-538.744805493; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-
	30-Sep-2021	/Water/adducts_water/add_ch3cl ch3cl-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-368.936632218; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-349.007615497; Eh

Results 58791-58800 of 104126 (Search time: 0.034 seconds).