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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/adducts_DCM/add_ch3cl ch3cl-oTs_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1395.26761510; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cl ch3cl-nhcho_6311+Gd_ch2cl2sp	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G(D)	-669.609282106; Eh
	30-Sep-2021	/DCM/EG_LG_DCM oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-75.9287500351; Eh
	30-Sep-2021	/DCM/EG_LG_DCM sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-398.945886688; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3cl ch3cl-oh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-576.086475954; Eh
	28-Jan-2021	/Single_points Co-ppy-SCF3-+-q	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.2038711; Eh
	28-Jan-2021	/Single_points Co-ppy-SCF3-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.3977219; Eh
	28-Jan-2021	/Single_points Co-SCF3ppy-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.3569657; Eh
	28-Jan-2021	/Single_points Co-ppy-SCF3	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM06	6-311++G* GENECP*	-1749.4124427; Eh
	28-Jan-2021	/Single_points TS1-t	Lopez Resano, Sara	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UM06	6-311++G* GENECP*	-1749.349035; Eh

Results 3561-3570 of 12842 (Search time: 0.006 seconds).