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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/Ph_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pNO2PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1733.1315732; Eh
	23-Sep-2022	/pF_Bpin/PhI Cu_Phen_F_pFPhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1453.86685682; Eh
	23-Sep-2022	/pF_Bpin/pNO2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1832.2716791; Eh
	23-Sep-2022	/Ph_Bpin/PhI Cu_phen_Ph_PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1243.78756640; Eh
	23-Sep-2022	/Ph_Bpin/PhI Cu_phen_Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1000.69441070; Eh
	30-Jun-2023	Ni-3xN6-Ni-3xN6-5.11_07	Ruiz, Andrea	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1979.35088072; eV
	4-Sep-2023	G4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-1100.67964598; Eh
	23-Sep-2022	/pF_Bpin/pNO2_PhI Cu_Phen_pFPh_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1547.53025738; Eh
	23-Sep-2022	/pF_Bpin/pNO2_PhI/large_basis_sets pFPh_pNO2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-767.2924402; Eh
	23-Sep-2022	/pF_Bpin/PhI Cu_Phen_pFPh	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1099.92863095; Eh

Results 24661-24670 of 100175 (Search time: 0.016 seconds).