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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/TS_water ch3ph2-seh-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2784.71896426; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-oh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-458.391191508; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-c6h5-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-614.194910779; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-br-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-395.763049028; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-cl-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-842.813930598; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-cn-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-475.405537179; Eh
	30-Sep-2021	/Water/TS_water ch3ph2-hcooo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-646.937401336; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-Ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1830.00642927; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-cf3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1272.69865414; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3och2ch3 ch3och2ch3-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-287.396510980; Eh

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