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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2017	MECP1t-H	Mudarra, Ángel Luís	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	LANL2DZ; 6-31G(d)	-2194.48471880; 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
	11-Feb-2022	TpBr3CuNH_Si_t_v1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D,P) GEN	-2487.68183374; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v2_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8883126; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-sch2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-668.472722342; 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-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-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 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

Results 1531-1540 of 12842 (Search time: 0.004 seconds).