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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Mar-2025	/MechanismB_Bromide I4-B	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3046.95178150; Eh
	20-Mar-2025	/MechanismB_Bromide TS2B	Bru, Gerard	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-3046.90301895; Eh
	17-Feb-2025	Fe4-SK-OH2_-6_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.88531594; Eh
	17-Feb-2025	Fe4-SK-OH2_-5_22	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.64039006; Eh
	17-Feb-2025	Fe4-SK-O_-8_19	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-6999.93878351; Eh
	17-Feb-2025	Fe4-SK-OH_-7_21	Besora, Maria	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GENECP	-7000.42562932; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-INT2o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.95062437; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-INT2n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-3606.95801998; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-TS1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.89614257; Eh
	9-Sep-2024	/Mec_Figure-S9_S8-triplet s8-singlet-TS1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-3606.89614257; Eh

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