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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_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7001.34847730; Eh
	20-Nov-2020	Fe4-SK-OH_-7_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.42562932; Eh
	20-Nov-2020	GD3bjH2O	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) GENECP	-76.4257012912; Eh
	20-Nov-2020	GD2H2O	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) GENECP	-76.4251652220; Eh
	20-Nov-2020	bs1Co-O-OH2_TS1B2-5_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-3985.70594238; Eh
	20-Nov-2020	GD3bjFe4OH_5_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.66540052; Eh
	20-Nov-2020	Fe4-SK-OH_-5_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-6999.93848952; 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	GD3Fe4Or_6_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-6999.97655280; Eh
	20-Nov-2020	bs1Fe-O_-5_5	Besora, Maria	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization Structure	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-3887.71527097; Eh

Results 41-50 of 98 (Search time: 0.0 seconds).