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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	/Water/TS_water ch3c6h5-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-503.291291946; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-327.576181073; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-609.364991159; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-709.782657604; Eh
	30-Sep-2021	/Water/TS_water ch3sch2ch3-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1412.43834925; Eh
	30-Sep-2021	/Water/TS_water ch3br-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-948.194485339; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1166.61171207; Eh
	30-Sep-2021	/Water/TS_water ch3cl-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1395.24821698; Eh
	30-Sep-2021	/Water/TS_water ch3och3-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1050.12385083; Eh
	30-Sep-2021	/Water/TS_water ch3sh-Ts-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1333.80193711; Eh

Results 9441-9450 of 12842 (Search time: 0.007 seconds).