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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Oct-2022	/M06_calculations iPr2NEt	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31G(D)	-370.729363961; Eh
18-Oct-2022	/M06_calculations TS1	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-3026.69158134; Eh
18-Oct-2022	/M06_calculations A_	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2579.47798233; Eh
18-Oct-2022	/M06_calculations Pd(PPh3)2	Xu, Jihong	Gaussian; 09; EM64L-G09RevB.01	Geometry optimization Minimum	RM06	GENECP	-
18-Oct-2022	/M06_calculations IM9	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2361.74245049; Eh
18-Oct-2022	/M06_calculations TS2base-2	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2361.74354213; Eh
18-Oct-2022	/M06_calculations IM11	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2438.33169940; Eh
18-Oct-2022	/M06_calculations IM10	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	GENECP	-2438.31645834; Eh
18-Oct-2022	/M06_calculations TS12	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2438.29846823; Eh
18-Oct-2022	/M06_calculations TS9a	Xu, Jihong	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM06	GENECP	-2721.92632809; Eh

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