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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_F_C6F5Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1851.2795642; Eh
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_PhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.8639922; Eh
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_C6F5_PhI	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.793892; Eh
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1497.2513539; Eh
	23-Sep-2022	/C6F5_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2024.7601298; Eh
	23-Sep-2022	/C6F5_Bpin/mMe_PhI C6F5Ph-mMePh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-998.768923539; Eh
	23-Sep-2022	/C6F5_Bpin/pMe_PhI pMePh-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-998.769148236; Eh
	26-Feb-2024	ch3pcl3-hcoo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2026.33720986; Eh
	26-Feb-2024	ch3nhc-hcoo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-513.993116175; Eh
	26-Feb-2024	ch3nch-hcoo-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-397.673780126; Eh

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