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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-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-I3m-4m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1667.78593920; 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-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-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-OAc-Second_Reaction-BSSE TS-4-I4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.24663038; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE I1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.57317445; 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
	11-Apr-2021	/N_sulfonylguanidine cn-ptol-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-689.306958514; Eh
	16-Jul-2018	/Ru-iPr-OAc-First_Reaction-BSSE I3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.82086917; Eh

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