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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 ch3cn-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-146.069008036; Eh
	30-Sep-2021	/Water/TS_water ch3och3-och3-ts_6311+Gd180	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-270.299937383; Eh
	30-Sep-2021	/Water/TS_water ch3cn-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-593.121568324; Eh
	30-Sep-2021	/Water/TS_water ch3cl-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-556.187577260; Eh
	30-Sep-2021	/Water/TS_water ch3sch3-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-534.069134725; Eh
	30-Sep-2021	/Water/TS_water ch3cn-och3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-248.005697596; Eh
	30-Sep-2021	/Water/TS_water ch3sh-nh2-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-494.752430761; Eh
	30-Sep-2021	/Water/TS_water ch3cn-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-208.698062686; Eh
	30-Sep-2021	/Water/TS_water ch3cn-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-225.711545300; Eh
	30-Sep-2021	/Water/TS_water ch3ash2-sch3-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2715.20098604; Eh

Results 26421-26430 of 63546 (Search time: 0.028 seconds).