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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Sep-2023	m062xSP_I5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P) SDD GENECP	-1060.9079616; Eh
	4-Sep-2023	m062xSP_I4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P) SDD GENECP	-1060.9187758; Eh
	4-Sep-2023	m062xSP_I1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311+G(D,P) SDD GENECP	-1060.9190115; Eh
	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	/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
	26-Feb-2024	ch3nc5h5-oTf-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1249.88939015; Eh
	23-Sep-2022	/pCF3_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pCF3Ph_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2070.1860352; Eh
	23-Sep-2022	/pF_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pFPhpNO2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1832.4017177; Eh

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