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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Dec-2021	ch3nh3-sch3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-534.590281745; Eh
	9-Dec-2021	ch3nh3-nh2-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-152.372739520; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3sh ch3sh-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-899.145787766; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-306.157457733; Eh
	30-Sep-2021	/Water/TS_water ch3f-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-153.108525632; Eh
	30-Sep-2021	/Water/TS_water ch3f-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-578.033269289; Eh
	30-Sep-2021	/Water/TS_water ch3f-sh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-538.718925100; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-nhcho_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-222.557168731; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-ncch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-227.635528960; Eh
	30-Sep-2021	/DCM/adducts_DCM/add_ch3br ch3br-sch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-491.359498100; Eh

Results 1701-1710 of 2101 (Search time: 0.003 seconds).