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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/adducts_DCM/add_ch3i ch3i-och2ch3_6311+Gdsp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G GENECP*	-205.888085559; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-489.571015860; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-166.556703029; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-nh2_6311+Gdsp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G GENECP*	-107.344849760; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3i ch3i-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-450.262541515; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-66.4474493896; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3br ch3br-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-530.686454984; Eh
	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

Results 9711-9720 of 12842 (Search time: 0.015 seconds).