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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-4m-I4xm	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1976.14790213; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i1add-mix	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.92624089; Eh
	16-Jul-2018	/Ru-PMe-OAc-Cl TS-I7m-5m	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	sdd; 6-31+g*	-1976.14368165; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i1add-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.90667255; Eh
	11-Apr-2021	/N_sulfonylguanidine n2-i1add-dcm	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1259.92514626; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE TS-I1-2	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.56542968; Eh
	16-Jul-2018	/Ru-iPr-Cl-First_Reaction-BSSE TS-1-I1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2371.56869754; Eh
	16-Jul-2018	/Ru-iPr-Cl-Second_Reaction-BSSE TS-I2-I8	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2679.95223683; Eh
	16-Jul-2018	/Ru-iPr-Cl-Second_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-Cl-Second_Reaction-BSSE I8	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2679.96982130; Eh

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