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Showing results 12471 to 12490 of 63063 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-oh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.336963215; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-oTs_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1089.52083249; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-sch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.663072671; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3-sh_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-593.354702537; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och2ch3 ch3och2ch3_hooch_6311+Gd_ch2cl2-1	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-458.898977132; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-168.419471365; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-c6h5_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-386.829415235; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-492.907118268; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-615.477422852; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-248.061837558; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-255.093970584; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-166.647172155; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-nch33_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-329.608659209; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-nh2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-211.107026261; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-nhcho_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-324.531440135; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-och2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-309.647370485; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-och3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-270.315936962; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-231.005965969; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-oTs_6311+Gd_ch2cl2-2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-1050.18470078; Eh
30-Sep-2021	/DCM/adducts_DCM/add_ch3och3 ch3och3-sch2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-632.659694830; Eh

Showing results 12471 to 12490 of 63063 < previous next >