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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Nov-2023	/Co3W-WK C_Co3W(H)-OH2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7288.33463434; Eh
	6-Nov-2023	/Co3W-WK AtoD_Co3W-OH	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7287.68450635; Eh
	6-Nov-2023	/Co2Fe2-WK J_Co2Fe2-OH2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7321.64939622; Eh
	6-Nov-2023	/Co3W-WK D_Co3W-OH2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7287.50341355; Eh
	6-Nov-2023	/Co2Fe2-WK L_Co2Fe2-O	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7320.30851278; Eh
	6-Nov-2023	/Co3W-WK F_Co3W-O	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7286.15535631; Eh
	17-Dec-2023	ts28_scan_249	Strugovshchikov, Evgenii	vasp; 5.3.5; 31Mar14 (build Oct 30 2014 12:56:31) complex	Geometry optimization	DFT	-	-309.25900139; eV
	6-Nov-2023	/Co3W-WK AtoB_Co3W(H)-OH2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7288.15683637; Eh
	6-Nov-2023	/Co3W-WK B_Co3W(HH)-OH2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7288.80277618; Eh
	6-Nov-2023	/Co2Fe2-WK K_Co2Fe2-OH	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7320.97065774; Eh

Results 991-1000 of 2579 (Search time: 0.0 seconds).