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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2020	Fe2O(Cl)2(Lcyc)2-singlet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D) GENECP	-3419.43427780; Eh
	30-Sep-2021	/DCM/TS_DCM ch3sch2ch3-br-ts_6311+Gd_ch2cl2	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G GENECP*	-530.680442836; Eh
	30-Sep-2020	Fe2O(Cl)2(Lcyc)2-quintet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-3419.47978876; Eh
	30-Sep-2020	Fe2O(Cl)2(Lcyc)2-septet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-3419.48318104; Eh
	30-Sep-2020	Fe2O(Cl)2(Lcyc)2-11e	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-3419.51850736; Eh
	30-Sep-2020	Fe2O(Cl)2(Lcyc)2-nonet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-3419.50447170; Eh
	30-Sep-2020	Dimer-SCN-triplet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-3406.16191810; Eh
	30-Sep-2020	Dimer-SCN-quintet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-3406.15977976; Eh
	30-Sep-2020	Dimer-SCN-singlet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D) GENECP	-3406.12992422; Eh
	30-Sep-2020	fac_6coord_NCS-quartet	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D) GENECP	-1891.70204980; Eh

Results 7781-7790 of 13266 (Search time: 0.006 seconds).