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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
21-Jul-2017	TS(5i-5k)	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.18744554; 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	TS(2-4)c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01129874; Eh
21-Jul-2017	TS(2-4)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31G; SDD*	-1137.96864593; Eh
21-Jul-2017	TS(4a-4ab)	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1253.48191446; Eh
21-Jul-2017	TS(4-7)b	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1253.47715378; Eh
21-Jul-2017	Int4j	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1214.20302088; Eh
21-Jul-2017	2a	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G*	-348.677777233; Eh
21-Jul-2017	TS(5-8)i	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1214.20071358; Eh
21-Jul-2017	Int7c	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.07421427; Eh

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