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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
21-Jul-2017	1e	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ*	-320.694692030; Eh
21-Jul-2017	TS(5-8)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.98560501; Eh
21-Jul-2017	TS(5-6)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.98216559; Eh
21-Jul-2017	TS(4-7)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31G; SDD*	-1137.98774789; Eh
21-Jul-2017	Int6h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1137.98700502; Eh
21-Jul-2017	Int7h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.03429150; Eh
21-Jul-2017	TS(4-12)h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; SDD*	-1137.99042944; Eh
21-Jul-2017	Int5h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.00490486; Eh
21-Jul-2017	TS(2-4)g	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RM06	6-31G; SDD*	-1137.96264133; 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

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