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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Apr-2023	/CoFeII HS_Co(II)-O	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.23019522; Eh
	4-Apr-2023	/CoFeII HS_Co(II)-OOH	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.95724519; Eh
	4-Apr-2023	/CoFeII LS_Co(II)-O	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.21184404; Eh
	4-Apr-2023	/CoFeII LS_Co(II)-OOH	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3727.95287384; Eh
	4-Apr-2023	/CoFeIII IS_Co(III)-OH	Hegner, Franziska Simone	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UTPSSh	DEF2TZVP DEF2SVP GEN	-3652.68179809; Eh
	27-Jun-2018	cluster-PBE-4	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBEPBE	SDD; 6-31G*; 6-31+G	-3836.29998559; Eh
	27-Jun-2018	cluster-PBE-2	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UPBEPBE	SDD; 6-31G*; 6-31+G	-3836.28872365; Eh
	27-Jun-2018	cluster-M06-L-6	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.58221330; Eh
	27-Jun-2018	cluster-B3LYP-4	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	SDD; 6-31G*; 6-31+G	-3839.93524076; Eh
	27-Jun-2018	cluster-M06-L-4	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06L	SDD; 6-31G*; 6-31+G	-3839.63421084; Eh

Results 21-30 of 387 (Search time: 0.002 seconds).