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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	/Beta-Hydride_Elimination 12	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.2497108; Eh
	24-Jan-2019	/Beta-Hydride_Elimination 4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7334151; Eh
	24-Jan-2019	NEt3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-292.5253378; Eh
	3-Feb-2017	TS3_gas_	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	ONIOM; M062X; UFF	-	-983.303119139; Eh
	3-Feb-2017	F_gas	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	ONIOM; M062X; UFF	-	-983.330405137; Eh
	24-Jan-2019	/Reductive_Elimination TS-6-Ni(II)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2083.5844991; Eh
	26-Apr-2017	ts_1a-2a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB97D	6-31+g(d)	-1455.23598411; Eh
	26-Apr-2017	5a	Kuniyil, Rositha	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31+g(d)	-1134.67902534; Eh
	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

Results 421-430 of 12948 (Search time: 0.012 seconds).