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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2021	Reactants_R	Villar-Yanez, Alba	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	SDD SDD/DEF2TZV	-2507.50044392; Eh
	17-Jul-2019	COD	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G* GEN*	-312.015145030; Eh
	17-Jul-2019	NiCOD	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-793.391945770; Eh
	17-Jul-2019	Post-TS2-adduct-mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-311G* GEN*	-2017.82202830; Eh
	1-Dec-2017	/Racemization/Scan_H Scan_H	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-783.811400163; Eh
	1-Dec-2017	/Racemization/Ensemble Ensemble	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-783.847573025; Eh
	1-Dec-2017	/Racemization/EnsembleBn_OCC EnsembleBn_OCC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-783.847601737; Eh
	1-Dec-2017	/Racemization/CC_Alk CC_Alk	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.399402698; Eh
	1-Dec-2017	/Racemization/Prod Prod	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.399385675; Eh
	17-Oct-2016	/Dimer/Al_H_I/Poly/IC_p IC_p	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D3	6-311G**	-3006.19892079; Eh

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