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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3oTf_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1001.54155456; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3och2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-194.407539828; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-438.741485075; Eh
	30-Sep-2021	/Water/EG_LG_water cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-460.407711795; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3ph2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-382.495687468; Eh
	30-Sep-2021	/Water/EG_LG_water br_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-13.3461225462; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3nch33_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-214.312688567; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3och3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-155.076506430; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3nh2_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-95.8915157370; Eh
	30-Sep-2021	/DCM/ch3-EG_LG_DCM ch3sch2ch3_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-517.394435165; Eh

Results 3531-3540 of 12842 (Search time: 0.004 seconds).