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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
21-Jun-2019	/M062X TS3CsB-O	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1446.02437164; Eh
21-Jun-2019	/M062X TS4C_B	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	LanL2DZ; 6-311G**	-1446.03402131; Eh
17-Jul-2019	TS3_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-1155.32223413; Eh
17-Jul-2019	TS1_bis	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-1422.98739769; Eh
17-Jul-2019	TS-iso1_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-961.912128846; Eh
17-Jul-2019	TS2_adduct_mono	Mateo, Ana	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	LANL2DZ 6-311G* GEN*	-2017.78088217; Eh

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