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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jun-2019	/Pinacolato CatNi(I)	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LanL2DZ; 6-311G**	-
	2-Apr-2020	C-3_triplet_(Cu-N2O2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-2398.99087987; Eh
	2-Apr-2020	C-4_triplet_(Cu-N2O2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-2398.98253982; Eh
	2-Apr-2020	C-2_triplet_(Cu-N2O2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-2398.99482383; Eh
	2-Apr-2020	D-2_doublet_(Cu-NO2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-2344.29868004; Eh
	2-Apr-2020	D_doublet_(Cu-NO2)	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	SDD 6-31G* 6-31+G* GEN*	-2344.30874773; Eh
	2-Apr-2020	NO	Ortuño, Manuel	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G* 6-31+G* GEN*	-129.890638412; Eh
	3-Oct-2019	thf_set_Brpdpme32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.69453082; Eh
	3-Oct-2019	gas_set_Brpdpme32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.67602996; Eh
	3-Oct-2019	dmf_set_Brpdpme32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31+G(D,P) SDD GEN	-3621.69863176; Eh

Results 1041-1050 of 1468 (Search time: 0.002 seconds).