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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	13-May-2025	MECP4-5_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2315.99477200; Eh
	13-May-2025	tpInt4N_triplet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2394.64348069; Eh
	13-May-2025	tpInt4ON_oss	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2394.6513227; Eh
	13-May-2025	eTS3-5_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2355.31107931; Eh
	13-May-2025	ibInt4ON_oss	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.979881; Eh
	13-May-2025	tbMECP4-5_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2433.95921359; Eh
	13-May-2025	Int3ON_triplet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2275.47696476; Eh
	13-May-2025	Int5N_singlet	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D) GENECP	-2316.11924494; Eh
	13-May-2025	Int4ON_oss	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) GENECP	-2316.0063497; Eh
	13-May-2025	iHCH33	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-31G(D) GENECP	-158.467606919; Eh

Results 1621-1630 of 2579 (Search time: 0.001 seconds).