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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 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 I4xm	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1976.15148606; 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 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	OAcH	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	6-311++g**	-229.086275769; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-I7-5	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.23064401; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE 1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2063.20549335; Eh
	16-Jul-2018	/Ru-iPr-OAc-First_Reaction-BSSE 3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-1831.46329430; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-I2xm-7m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-2207.89864081; 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

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