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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Apr-2026	/L1/TOT Triplet	Jutglar Lozano, Kílian	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UPBE1PBE	DEF2TZVP	-2738.2469134; Eh
	21-Apr-2026	/cycle/SET/large_basis I4_solvent	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP; UB3LYP	GEN	-2520.234137; Eh
	21-Apr-2026	/cycle/SET/large_basis R-Br_nuclei	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	GEN	-3092.7623163; Eh
	21-Apr-2026	/reactants R-Br	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-531.701017969; Eh
	21-Apr-2026	/reactants R_radical	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-518.276732966; Eh
	21-Apr-2026	/reactants CsHCO3	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-284.628483675; Eh
	21-Apr-2026	/reactants R-CCPh	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-826.134753501; Eh
	21-Apr-2026	/reactants HCCPh	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G GEN*	-308.402796844; Eh
	21-Apr-2026	/reactants Br_anion	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD GEN	-13.5251596391; Eh
	21-Apr-2026	/reactants CsBr	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	SDD GEN	-33.6533282419; Eh

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