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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 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
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-3m-I3m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1667.78161935; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl I2xm	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-2207.93303550; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl I5m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1976.16372307; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl I7m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	sdd; 6-31+g*	-1976.15255387; 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
	24-Jul-2020	Mo7O23	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE 2	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.62558163; 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

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