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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Nov-2020	Co4-SK-OH-11_13	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7087.57591789; Eh
	20-Nov-2020	Co4-SK-OH_-10_10	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7087.40541058; Eh
	20-Nov-2020	Co4-SK-O-10_11	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7086.73266461; Eh
	20-Nov-2020	Fe4-SK-O-H2O_addTS1B-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7076.19819518; Eh
	20-Nov-2020	Fe4-SK-O-H2O_addTS1T-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7076.19609931; Eh
	20-Nov-2020	bs1Fe4-SK-O-OH2_TS1T-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7075.51289733; Eh
	20-Nov-2020	bs1Fe4-SK-O-OH2_TS1B-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7075.50721626; Eh
	20-Nov-2020	bs1Fe4-SK-O-OH2_TS2-7_20	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7151.96746490; Eh
	20-Nov-2020	bs1Fe4-SK-OH2_-6_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7000.22662587; Eh
	20-Nov-2020	bs1Fe4-SK-OH_-7_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-6999.77492492; Eh

Results 251-260 of 2546 (Search time: 0.001 seconds).