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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Feb-2024	ch3nch_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-133.178562309; Eh
	11-Feb-2022	step_009_s_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8466675; Eh
	11-Feb-2022	step_010_s_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8500531; Eh
	11-Feb-2022	step_011_s_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8537413; Eh
	20-Nov-2021	ZrCl5b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-2348.51483721; Eh
	20-Nov-2021	incl2b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31+G SDD GENECP*	-922.057051273; Eh
	20-Nov-2021	oso3b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-315.280225272; Eh
	20-Nov-2021	cp8-nipr2oso3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31+G SDD*	-1013.71537726; Eh
	11-Feb-2022	step_007_t	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.66323766; Eh
	11-Feb-2022	step_010_t	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.66190373; Eh

Results 10941-10950 of 12842 (Search time: 0.008 seconds).