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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Feb-2019	I11-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-872.449143083; Eh
	5-Feb-2019	I14-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-884.049823702; Eh
	24-Feb-2020	/SupportingStructures/Profiles/PBEPBE/Adducts Int_W_W_PBEPBE	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	CC-PVTZ	-711.677431731; Eh
	5-Feb-2019	I13-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-783.090432082; Eh
	5-Feb-2019	I15-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-557.963411864; Eh
	5-Feb-2019	I12-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-546.333606506; Eh
	27-Jun-2023	SP_Z-B1	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-2016.2911404; Eh
	5-Feb-2019	TS-I1-I3-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-1115.42236584; Eh
	5-Feb-2019	TS-I1-I2-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	SDD; 6-31+G(d,p)	-1115.46924944; Eh
	5-Feb-2019	I16-Cu	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UM06	SDD; 6-31+G(d,p)	-794.750388488; Eh

Results 18051-18060 of 104512 (Search time: 0.011 seconds).