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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Oct-2022	/M06_calculations TS8a1	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.87672536; Eh
	18-Oct-2022	/M06_calculations TS8a2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.87444108; Eh
	18-Oct-2022	/M06_calculations TS5	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-3474.02339480; Eh
	18-Oct-2022	/M06_calculations TS6a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.89114181; Eh
	18-Oct-2022	/M06_calculations TS7a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.89750070; Eh
	18-Oct-2022	/M06_calculations TS8a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.89060172; Eh
	18-Oct-2022	/M06_calculations Ca	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.90522924; Eh
	18-Oct-2022	/M06_calculations Ea	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.96569829; Eh
	18-Oct-2022	/M06_calculations Da	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2721.91220341; Eh
	18-Oct-2022	/M06_calculations TS9b	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2451.75884215; Eh

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