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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Jul-2017	Int12h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1137.99217859; Eh
	21-Jul-2017	Int9h	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; SDD*	-1138.05035270; Eh
	21-Jul-2017	12a	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RM06	6-31G*	-384.247585773; Eh
	11-Mar-2021	DCM_INTDiazo	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31+G(D,P) SDD GEN	-2421.82507113; Eh
	21-Jul-2017	TS(5-8)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.02221553; Eh
	21-Jul-2017	TS(4-7)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01528065; Eh
	21-Jul-2017	Int3f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.04505523; Eh
	21-Jul-2017	Int4f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G; LANL2DZ; SDD*	-1266.04089038; Eh
	21-Jul-2017	TS(5-6)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01591220; Eh
	21-Jul-2017	TS(2-4)f	de Orbe, M. Elena	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	6-31G; LANL2DZ; SDD*	-1266.01289310; Eh

Results 41-50 of 10918 (Search time: 0.003 seconds).