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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 ch3hcooo-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-397.245004758; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-536.027812581; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-458.866783113; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-nhcho-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-473.734502837; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-ooh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-455.396294016; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-cf3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-642.105199149; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-oTs-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1199.36517412; Eh
	30-Sep-2021	/Water/TS_water ch3hcooo-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-380.230858782; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-nch33-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-446.042276898; Eh
	30-Sep-2021	/Water/TS_water ch3c6h5-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-364.497815407; Eh

Results 9431-9440 of 12842 (Search time: 0.007 seconds).