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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2020	Co-OH2_-4_1	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3910.83437402; Eh
	20-Nov-2020	Co-OH_-6_4	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3910.55270933; 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
	20-Nov-2020	bs1Fe4-SK-OO_-7_20decoord	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7074.27375280; Eh
	20-Nov-2020	bs1Fe4-SK-OO_-7_20coord	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7074.27646388; Eh
	20-Nov-2020	bs1Fe-O-OH2_TS1B2-5_5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-3964.11738995; Eh
	20-Nov-2020	bs1Co-O-OH2_TS2-5_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-4062.15306424; Eh
	20-Nov-2020	Fe-O-OH2_TS1B2-5_5	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3964.50559556; Eh
	20-Nov-2020	bs1Fe-OH_-5_6	Besora, Maria	Gaussian; 09; EM64L-G09RevC.01	Geometry optimization Structure	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-3888.39010681; Eh
	20-Nov-2020	Co-OH2_-5_4	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3911.03918881; Eh

Results 51-60 of 98 (Search time: 0.001 seconds).