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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	cp4-nme2oso3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-699.132656840; Eh
	20-Nov-2021	cp4-nme2zrcl5	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G SDD GENECP*	-2731.92445388; Eh
	20-Nov-2021	aq-cp4-nme2pdph3	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-854.5327264; Eh
	20-Nov-2021	aq-cp4	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G GENECP*	-383.3744601; Eh
	11-Feb-2022	TpBr3CuNH_v3_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26380.754622; Eh
	20-Nov-2021	aq-nme3pdhph32	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-989.231467; Eh
	20-Nov-2021	nme3ZrCl5-corr	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+G SDD GENECP*	-2523.03164390; Eh
	20-Nov-2021	nme3incl2	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1096.65298818; Eh
	20-Nov-2021	pyc4nh-pdhph32_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1063.008642; Eh
	20-Nov-2021	simnet2-anti-pdhph32_aq	Morán, Lucía	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+G SDD GENECP*	-1199.4458534; Eh

Results 10351-10360 of 12842 (Search time: 0.008 seconds).