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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Sep-2022	/C6F5_Bpin/Bpin_real/large_basis_sets F-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-511.3615474; Eh
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-2076.94973387; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real C6F5-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-1139.10152530; Eh
	23-Sep-2022	/C6F5_Bpin/Bpin_real F-Bpin	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-511.200235561; Eh
	26-Dec-2022	/NLE Cu2_homocoupled	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D) LANL2DZ GENECP	-2342.94169204; Eh
	4-Sep-2023	bp86_NBO_H4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RBP86	6-311+G(D,P) SDD GENECP	-1140.2013973; Eh
	23-Sep-2022	/C6F5_Bpin/pCF3_PhI pCF3Ph-C6F5	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-1296.48614875; Eh
	23-Sep-2022	/R_PhI/large_basis_sets pNO2-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-732.0947936; Eh
	23-Sep-2022	/R_PhI/large_basis_sets ptBu-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-684.8373004; Eh
	23-Sep-2022	/R_PhI/large_basis_sets pOMe-PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-642.0868277; Eh

Results 24851-24860 of 100175 (Search time: 0.018 seconds).