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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2017	TSmajor_d_phenyl	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; wB97XD; UFF	lanl2dz; 6-31+g(d)	-3829.51572130; 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	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	9_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UwB97XD	lanl2dz; 6-31+g(d)	-2528.74630347; 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
	29-Sep-2017	TSmajor_Me	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	UwB97XD	lanl2dz; 6-31+g(d)	-3947.49754039; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-I5m-I7m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1976.14024707; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-2m-I2xm	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-2207.92994501; Eh
	9-Nov-2018	/vacuum/complexes pcl3ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2340.73580107; Eh

Results 1211-1220 of 12842 (Search time: 0.005 seconds).