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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/pNMe2_PhI/large_basis_sets pNMe2Ph-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1093.7717945; Eh
	23-Sep-2022	/C6F5_Bpin/pOMe_PhI/large_basis_sets pOMePh-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1074.3179955; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2158.7745275; Eh
	23-Sep-2022	/C6F5_Bpin/PhI Cu_Phen_C6F5_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1739.94606719; Eh
	30-Jun-2023	Ni-3xN6-Ni-3xN6-4.91_06	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1979.31298077; eV
	4-Sep-2023	D1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-908.915004360; Eh
	23-Sep-2022	/C6F5_Bpin/pNMe2_PhI Cu_phen_C6F5_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1873.93042892; Eh
	23-Sep-2022	/C6F5_Bpin/pOMe_PhI Cu_Phen_pOMePhC6F5_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1854.55848263; Eh
	23-Sep-2022	/mmMePh_Bpin/large_basis_sets Cu_Phen_F_mmMePhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1433.6247422; Eh
	23-Sep-2022	/C6F5_Bpin/pOMe_PhI pOMePh-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-1073.97625233; Eh

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