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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	TS(6-9)a	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1253.47320256; Eh
	21-Jul-2017	TS(2-4)a	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1253.46318695; Eh
	21-Jul-2017	Int10a	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1253.53463823; Eh
	21-Jul-2017	Int3a	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1253.49738032; Eh
	21-Jul-2017	Int7b	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1253.52848967; Eh
	11-Feb-2022	Me2PhSi_SP	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	DEF2TZVP GEN	-601.1163583; Eh
	11-Feb-2022	HNSi_s_v1	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1476.00649053; Eh
	11-Feb-2022	HNSi_s_v2	Pérez-Soto, Raúl	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D,P) GEN	-1476.00324422; Eh
	9-Jul-2019	/EZ_substrate 2t_EZ	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311++G* GENECP*	-720.1469342; Eh
	9-Jul-2019	/EZ_substrate 1t_EZ	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RM062X	6-311++G* GENECP*	-720.146634; Eh

Results 1021-1030 of 12842 (Search time: 0.004 seconds).