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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2020	GD3Fe4H2O_6_21freq	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7001.34847730; Eh
	20-Nov-2020	GD3Fe4O_7_20freq	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.21030068; Eh
	20-Nov-2020	GD3bjFe4OH_6_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	LANL2DZ 6-31G(D,P)	-7000.90322949; Eh
	25-Jun-2018	V-oxo_fully-ox	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	lanl2dz; 6-31g(d,p)	-4815.48384800; Eh
	25-Jun-2018	V-oxo_1e_sym	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UB3LYP	lanl2dz; 6-31g(d,p)	-4815.59005707; Eh
	25-Jun-2018	V-thf_triplet	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UB3LYP	lanl2dz; 6-31g(d,p)	-4972.72244086; Eh
	14-May-2018	/NbK-H TS_NbOOH-cyH_Oalpha_KH	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-
	25-Jun-2018	V-oxo_2e_sym_triplet	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UB3LYP	lanl2dz; 6-31g(d,p)	-4815.66532844; Eh
	25-Jun-2018	V-oxo_2e_sym_singlet	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	lanl2dz; 6-31g(d,p)	-4815.66573557; Eh
	14-May-2018	/NbL Nb-oxo_L	Solé-Daura, Albert	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-

Results 11-20 of 130 (Search time: 0.001 seconds).