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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2021	aq-cp7-ome2pdph3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-815.6066169; Eh
	11-Feb-2022	step_008_s_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8446451; Eh
	20-Nov-2021	cp8-nipr2pdhph32	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-1512.64158672; Eh
	20-Nov-2021	aq-cp8-nipr2oso3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1013.9698503; Eh
	20-Nov-2021	cp8-nipr2zrcl5	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-3046.47642635; Eh
	20-Nov-2021	aq-cp7-omezrcl5	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-2693.0895453; Eh
	20-Nov-2021	PdHPH32b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-814.612353256; Eh
	20-Nov-2021	PdPH3b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RB3LYP	6-31+G SDD GENECP*	-471.084751307; Eh
	20-Nov-2021	aq-oso3b3lyp	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-315.8111485; Eh
	20-Nov-2021	aq-cp8-nipr2	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-31+G*	-697.925910466; Eh

Results 10931-10940 of 12842 (Search time: 0.008 seconds).