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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/adducts_water/add_ch3c6h5 ch3c6h5-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-371.664914265; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-283.216154884; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-327.680625059; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-426.237560545; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-386.908289694; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3oTs-nch33_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1109.39483718; Eh
	27-Jun-2023	E-C2jp	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-2215.02597495; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-sh_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1333.81954259; Eh
	27-Jun-2023	SP_Z-F2	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1819.3526262; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3oTs ch3Ts-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-1050.13790712; Eh

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