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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2025	/Hydrogenation ts_L1_H1	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	SDD 6-31G(D,P) GENECP	-3218.69468767; Eh
	2-Mar-2025	/Hydrogenation ts_B1_H1	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	SDD 6-31G(D,P) GENECP	-3218.69067080; Eh
	2-Mar-2025	/Hydrogenation ts_H3_H4	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	SDD 6-31G(D,P) GENECP	-3022.32117226; Eh
	9-Sep-2024	/Mecanism_Fig_2 TS_I-III	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	SDD 6-31G(D,P) GENECP	-1992.97148313; Eh
	2-Mar-2025	/Branched_Hydroformylation ts_B1_B2	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	SDD 6-31G(D,P) GENECP	-2806.39008135; Eh
	2-Mar-2025	/Branched_Hydroformylation ts_B2_7b	Nuñez Rapan, Gonzalo Dario	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	SDD 6-31G(D,P) GENECP	-2279.57854041; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-singlet-ts1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1217.85192817; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-singlet-ts1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P) GEN	-1217.85999853; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-ts1n	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.86175039; Eh
	9-Sep-2024	/Mec_Figure-S10_S2-triplet s2-2-ts1o	Nuñez, Gonzalo	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UwB97XD	6-31G(D,P) GEN	-1217.87767244; Eh

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