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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jan-2019	product	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-753.8312113; Eh
	11-Feb-2022	TpBr3CuN_s_v1_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	DEF2TZVP DEF2QZVP GEN	-26380.0667085; Eh
	24-Jan-2019	1-octene	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-314.5914494; Eh
	24-Jan-2019	IPr	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-1160.444919; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-nhcho-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-360.354022253; Eh
	30-May-2023	int3b	Martí Zaragoza, Àlex	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-7549.57966540; Eh
	24-Jul-2020	Mo7O24	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	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	2-iodoacetanilide	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311++G**	-451.2049853; Eh

Results 8151-8160 of 103542 (Search time: 0.007 seconds).