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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 3	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1781.1179749; Eh
	22-Feb-2020	TS1Aeq_S1eq_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-698.1287827; Eh
	15-Oct-2018	4_4-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.81862165; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 11	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1781.1100789; Eh
	11-Apr-2021	/N_sulfonylguanidine n4-i1add-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31+G(D)	-1631.31566586; Eh
	24-Jan-2019	/Migratory_Insertion TS-3-4x(endo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.6935927; Eh
	24-Jan-2019	/Migratory_Insertion TS-3-4(exo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7026806; Eh
	24-Jan-2019	/Migratory_Insertion 4x(endo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7316703; Eh
	24-Jan-2019	/Migratory_Insertion 4(exo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7334151; Eh
	22-Feb-2020	XIII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.32677951; Eh

Results 16971-16980 of 104512 (Search time: 0.012 seconds).