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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_ch3nhcho ch3nhcho-sh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-608.236135329; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-Ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1272.80224372; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-sch2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-855.275826047; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3_nchh3_6311+Gdsp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-552.223661282; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-492.932311028; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-815.948262029; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3_sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-776.639772840; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3_oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-453.622400375; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-470.677705079; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cf3 ch3cf3-nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	-	6-311+G(D)	-547.145731225; Eh

Results 9571-9580 of 12842 (Search time: 0.015 seconds).