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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE 4	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2139.88688426; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE I6	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2219.13306862; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-I6-I7	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.23246930; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE TS-I4-I5	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.23971891; Eh
	16-Jul-2018	/Ru-iPr-OAc-Second_Reaction-BSSE I7	Fondevila, Adiran J. De Aguirre	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	sdd; 6-311++g**	-2448.24329919; Eh
	18-Jul-2018	I4_TpAg=carbene	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g; lanl2dz*	-4528.44874152; Eh
	30-Sep-2021	/Water/TS_water ch3ooh-sch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-629.146706245; Eh
	11-Feb-2022	TpBr3CuNH_Si_t_v4_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP DEF2QZVP GEN	-26981.8838146; Eh
	18-Jul-2018	I5_TpAgcarbene(CH4)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g; lanl2dz*	-4568.94464288; Eh
	18-Jul-2018	product	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB97D	6-31g*	-346.785857742; Eh

Results 41-50 of 12842 (Search time: 0.003 seconds).