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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2017	3	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+g(d)	-1858.15055969; Eh
	29-Sep-2017	7minor_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-3868.70246860; Eh
	29-Sep-2017	6major_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	lanl2dz; 6-31+g(d)	-3947.55722534; Eh
	29-Sep-2017	6minor_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	lanl2dz; 6-31+g(d)	-3947.55526035; Eh
	29-Sep-2017	8_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UwB97XD	lanl2dz; 6-31+g(d)	-2528.82745763; Eh
	29-Sep-2017	5_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-2528.91819204; Eh
	29-Sep-2017	7major_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-3947.42424765; Eh
	29-Sep-2017	7minor_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	lanl2dz; 6-31+g(d)	-3947.42294477; Eh
	3-Feb-2017	A_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM062X	-	-615.630458379; Eh
	15-Oct-2018	2_6-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.82207693; Eh

Results 11-20 of 143 (Search time: 0.002 seconds).