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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Apr-2026	/reactants/large_basis R-Br	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-3092.7226413; Eh
	21-Apr-2026	/reactants/large_basis R-CCPh	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-826.4726517; Eh
	21-Apr-2026	/reactants/large_basis CsHCO3	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-284.7861479; Eh
	21-Apr-2026	/reactants/large_basis Cs2CO3	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-304.3937811; Eh
	21-Apr-2026	/reactants/large_basis Br_anion	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-2574.3251273; Eh
	21-Apr-2026	/reactants/large_basis CsBr	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-2594.4599489; Eh
	21-Apr-2026	/reactants/large_basis HCCPh	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	RB3LYP	GEN	-308.5309249; Eh
	21-Apr-2026	/cycle/DMF XAT	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UB3LYP	GEN	-1608.50508469; Eh
	21-Apr-2026	/cycle/DMF R-Br	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-531.703700540; Eh
	21-Apr-2026	/cycle/DMF LSN	Jesus, Jover; Heras Domingo, Javier	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GEN*	-1608.58223070; Eh

Results 395671-395680 of 397032 (Search time: 0.255 seconds).