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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pNMe2_Bpin/pMe_PhI Cu_Phen_pNMe2PhpMePh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1417.19777010; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets Cu_Phen_pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1205.4926137; Eh
	23-Sep-2022	/pNO2Ph_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1733.0006229; Eh
	23-Sep-2022	/pNMe2_Bpin/pMe_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1417.04619986; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pMePhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1701.9051281; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pMePh_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1701.8048273; Eh
	4-Sep-2023	L4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-869.614246998; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets pMePh-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-636.7965691; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1701.7649544; Eh
	23-Sep-2022	/pMe_Bpin/PhI TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1393.92940572; Eh

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