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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/R_PhBpin/large_basis_sets pMe-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-525.1597132; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets pF-PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-585.0986586; Eh
	23-Sep-2022	/R_PhBpin/large_basis_sets PhBpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-485.8284275; Eh
	23-Sep-2022	/common Cu_phen_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-780.548111902; Eh
	23-Sep-2022	/common Cu_phen_F	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-868.929328255; Eh
	23-Sep-2022	/common F-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-353.912544835; Eh
	23-Sep-2022	/common CsI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	SDD GEN	-31.7317387598; Eh
	23-Sep-2022	/common F	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-99.9002251911; Eh
	27-Sep-2022	fe4co4_2H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RPBEPBE	GEN	-15036.4272869; Eh
	26-Dec-2022	/NLE LCu2HFIP2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-2848.13797647; Eh

Results 28581-28590 of 103542 (Search time: 0.017 seconds).