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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	/Migratory_Insertion TS-3-4(endo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.689591; Eh
	27-Feb-2018	K-Br-spiroC5-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3403.62123284; Eh
	9-Nov-2018	/vacuum/complexes pcl3mno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2051.63296387; Eh
	27-Feb-2018	B-OtBu	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-487.128328138; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 1	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1644.4308787; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v5_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.888909; Eh
	24-Jan-2019	/Oxidative_addition-Halide_abstraction 1x(prima)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1329.7732566; Eh
	24-Jan-2019	/Migratory_Insertion TS-3-4x(exo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.692944; Eh
	24-Jan-2019	/Migratory_Insertion 4x(exo)	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-2095.7385754; Eh
	9-Nov-2018	/vacuum/complexes pcl3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+g; sdd*	-1750.15031945; Eh

Results 71-80 of 12842 (Search time: 0.005 seconds).