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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/TS_DCM ch3br-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-66.4305993210; Eh
	30-Sep-2021	/DCM/TS_DCM ch3oh-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-127.243816232; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cl-f-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-600.156879710; Eh
	30-Sep-2021	/DCM/TS_DCM ch3oh-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-191.646679773; Eh
	30-Sep-2021	/DCM/TS_DCM ch3i-i-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-62.8654822777; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-cl-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-977.731010555; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-cn-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-610.322380413; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-cf3-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-855.185331034; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-f-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-617.357282185; Eh
	30-Sep-2021	/DCM/TS_DCM ch3cl-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-615.394679546; Eh

Results 6201-6210 of 6834 (Search time: 0.006 seconds).