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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Aug-2025	/Mechanism_A fig1_tsV-VI_2	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-2772.22307838; Eh
	27-Aug-2025	/Mechanism_B fig2_int_III	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G++(D,P) GENECP	-1992.92151860; Eh
	27-Aug-2025	/Mechanism_B fig2_ts_III-IX	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-1992.90326262; Eh
	27-Aug-2025	/Mechanism_B fig2_ts_III-2a	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-1992.89181167; Eh
	27-Aug-2025	/Mechanism_B fig2_ts_I-III	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-1992.91437067; Eh
	27-Aug-2025	/Mechanism_A fig1_ts_IV-V	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-2772.22260283; Eh
	27-Aug-2025	/Mechanism_B fig2_intIX	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G++(D,P) GENECP	-1293.16756871; Eh
	27-Aug-2025	/Mechanism_B fig2_int_I	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G++(D,P) GENECP	-1534.42831691; Eh
	27-Aug-2025	/Mechanism_A fig1_intVI_BF3_mig1-2	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-311G++(D,P) GENECP	-2772.34730593; Eh
	27-Aug-2025	/Mechanism_B fig2_ts_intIX-prodA	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-311G++(D,P) GENECP	-1993.00086922; Eh

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