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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark TSepim-BP86_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.39098259; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark TSepim-PBE_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.39098259; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Mdiss-BP86_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.42857097; Eh
	24-Oct-2017	/Keggin_POM_catalyst/Gaussian_Benchmark Gdiss-BP86_LANL2TZ	Rellán, Marcos	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311G*	-4849.42706564; Eh
	21-Oct-2016	b5	García Muelas, Rodrigo	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-
	21-Oct-2016	b4	García Muelas, Rodrigo	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RB3LYP	-	-
	4-Apr-2023	/CoFeIII HS_Co(II)-vac	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3576.96258555; Eh
	4-Apr-2023	/CoFeIII LS_Co(III)-OH	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.70352644; Eh
	4-Apr-2023	/CoFeIII LS_Co(II)-OOH_doublet	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.77744927; Eh
	4-Apr-2023	/CoFeIII HS_Co(II)-OOH_doublet	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.77169252; Eh

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