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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/pOMe_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2139.320887; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets TMTS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1692.0959053; Eh
	23-Sep-2022	/pCF3_Bpin/pNMe2_PhI pCF3Ph-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-934.340047874; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1865.580255; Eh
	23-Sep-2022	/pCF3_Bpin/PhI/large_basis_sets pCF3Ph-Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-800.6057849; Eh
	23-Sep-2022	/pCF3_Bpin/pNMe2_PhI OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-31G SDD GEN*	-1714.77160757; Eh
	26-Dec-2022	/NLE LCu1WOTf	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-2307.61968108; Eh
	26-Feb-2024	ch3hcooo-h2o-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-380.665860759; Eh
	23-Sep-2022	/C6F5_Bpin/pF_PhI/large_basis_sets Cu_Phen_C6F5_pFPhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-2124.0611557; Eh
	23-Sep-2022	/C6F5_Bpin/pOMe_PhI Cu_Phen_C6F5_pOMePhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1854.47674402; Eh

Results 24751-24760 of 100175 (Search time: 0.016 seconds).