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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/pF_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pFPh_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1832.3000815; Eh
	23-Sep-2022	/Ph_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_Ph_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1733.0270058; Eh
	23-Sep-2022	/pCF3_Bpin/PhI Cu_Phen_F_pCF3PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1691.67767088; 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	/Ph_Bpin/PhI Cu_phen_F_PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1354.63299855; Eh
	4-Sep-2023	H3	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-1139.96824147; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2070.1599064; Eh
	23-Sep-2022	/Ph_Bpin/PhI/large_basis_sets Cu_phen_F_PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1354.9604627; Eh
	23-Sep-2022	/Ph_Bpin/pNMe2_PhI Cu_Phen_pNMe2PhPh_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1377.87873004; Eh
	23-Sep-2022	/mmMePh_Bpin Cu_Phen_F_mmMePhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1433.27718510; Eh

Results 29721-29730 of 103542 (Search time: 0.018 seconds).