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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3oTf-co-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1114.84946286; Eh
	26-Feb-2024	ch3oTf-ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-1041.49470916; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets Cu_Phen_pMePhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1701.9051281; Eh
	4-Sep-2023	L4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	6-31G SDD GENECP*	-869.614246998; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI Cu_Phen_pMePh_pNMe2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1417.09030605; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets pMePh-pNMe2Ph	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-636.7965691; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI/large_basis_sets OATS	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1701.7649544; Eh
	24-Oct-2022	/Au rel	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-15.51770393; eV
	23-Sep-2022	/pMe_Bpin/pNO2_PhI/large_basis_sets Cu_Phen_pMePh_pNO2PhI	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-311+G* GEN*	-1772.3583622; Eh
	23-Sep-2022	/pMe_Bpin/pNMe2_PhI Cu_Phen_pMePhpNMe2Ph_I	Jover Modrego, Jesús	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1417.19714102; Eh

Results 24601-24610 of 100175 (Search time: 0.017 seconds).