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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2017	5_d_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-3229.20057104; Eh
	29-Sep-2017	6minor_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-3868.88559260; Eh
	29-Sep-2017	6minor_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UwB97XD	lanl2dz; 6-31+g(d)	-4183.37587338; Eh
	29-Sep-2017	2_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	lanl2dz; 6-31+g(d)	-2325.04668145; Eh
	29-Sep-2017	5_d_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	lanl2dz; 6-31+g(d)	-2450.24885820; Eh
	29-Sep-2017	TSminor_d_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-3868.82106378; Eh
	29-Sep-2017	5_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-2450.25305125; Eh
	29-Sep-2017	9_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-2450.03583151; Eh
	29-Sep-2017	7major_tbu_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	lanl2dz; 6-31+g(d)	-3868.70255562; Eh
	29-Sep-2017	6major_tbu_solv	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UwB97XD	lanl2dz; 6-31+g(d)	-4183.38024263; Eh

Results 51-60 of 684 (Search time: 0.002 seconds).