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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2018	/Ru-PMe-OAc-Cl 4m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1667.86210072; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl 5m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1666.62642309; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl 3m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1359.49756405; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl I1m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1899.58244705; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl I4m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1976.16639617; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl I3m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1667.79712378; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl 7m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1898.38970278; Eh
	9-Nov-2018	/vacuum/complexes pcl3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2002.71677592; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-I1m-2m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1899.57150345; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-1m-I1m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1899.57084332; Eh

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