1. ioChem-Find
2. Institute of Chemical Research of Catalonia

Preview	Title	Author(s)	Program	Method(s)	Basis Set	Energy	Solv.	Vibr.
	/R_PhI/large_basis_sets PhI_anion	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	UB3LYP	6-311+G** GEN	-527.6277708; Eh
	/R_PhI PhI_anion	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	UB3LYP	6-31G* SDD GEN	-243.176622211; Eh
	/C6F5_Bpin/PhI/large_basis_sets Cu_C6F5_cation	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	UB3LYP	6-311+G** GEN	-1497.0970315; Eh
	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_C6F5_Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-2024.7817608; Eh
	/C6F5_Bpin/PhI/large_basis_sets Cu_Phen_C6F5_Ph_I_trans	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	RB3LYP	6-311+G** GEN	-2024.7732615; Eh
	/C6F5_Bpin/PhI/large_basis_sets OATS_trans	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	RB3LYP	6-311+G** GEN	-2024.7626664; Eh
	/C6F5_Bpin/PhI/large_basis_sets RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-2024.7861006; Eh
	/C6F5_Bpin/PhI Cu_C6F5_cation	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	UB3LYP	6-31G* SDD GEN	-1496.69459662; Eh
	/C6F5_Bpin/PhI Cu_Phen_C6F5_Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-31G* SDD GEN	-1739.93500171; Eh
	/C6F5_Bpin/PhI Cu_Phen_C6F5_Ph_I_trans	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-31G* SDD GEN	-1739.92286729; Eh
	/C6F5_Bpin/PhI OATS_trans	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	RB3LYP	6-31G* SDD GEN	-1739.91241389; Eh
	/C6F5_Bpin/PhI RETS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-31G* SDD GEN	-1739.9427057; Eh
	/OATS C6F5-pCN	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-31G* SDD GEN	-1832.15836031; Eh
	/OATS C6F5-pOH	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-31G* SDD GEN	-1815.13067802; Eh
	/R_PhI/large_basis_sets mCF3-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-864.6777259; Eh
	/R_PhI/large_basis_sets mCl-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-987.1495276; Eh
	/R_PhI/large_basis_sets mCN-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-619.7955939; Eh
	/R_PhI/large_basis_sets mCOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-680.2267617; Eh
	/R_PhI/large_basis_sets mF-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-626.7928417; Eh
	/R_PhI/large_basis_sets mmCF3-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	RB3LYP	6-311+G** GEN	-1201.828626; Eh