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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-May-2016	PdII_Cl_O2_ROH	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-970.500473921; Eh
	9-May-2016	PdII_Cl_OOH_RO	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RPBEPBE	6-31+G; SDD*	-970.491184773; Eh
	9-May-2016	TS_III	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-970.456885788; Eh
	9-May-2016	TS_II	Jover Modrego, Jesús	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RPBEPBE	6-31+G; SDD*	-970.469264016; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 PBE-H₂	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31G* GEN*	-1.16466336003; Eh
	6-Nov-2020	/Cluster-Fe-MOF-74 PBE-H₂-freq	Morales-Vidal, Jordi	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	RPBEPBE	6-31G* GEN*	-1.16466336002; Eh
	30-Aug-2021	fe4co4_K	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15483.4770735; Eh
	25-Mar-2019	Trux-Fpy	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-31G*; 6-31+G	-2311.9038407; Eh
	30-Aug-2021	fe4co4_2Li_H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15043.9196929; Eh
	30-Aug-2021	fe4co4_2Na_H2O	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	GEN	-15284.3458776; Eh

Results 31-40 of 58 (Search time: 0.002 seconds).