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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-May-2023	O2	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P) GEN	-150.316689250; Eh
	18-May-2023	Rad_D	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1891.83168926; Eh
	18-May-2023	Radical_Zr-Oxyl	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-1816.63387858; Eh
	28-Jan-2023	O2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	6-31G(D,P)	-150.320040194; Eh
	6-Nov-2023	/Test_stability_Fe2Co2-WK Fe2Co2	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) 6-31G GENECP	-7321.94778083; Eh
	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

Results 151-160 of 301 (Search time: 0.001 seconds).