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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2022	10	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2806.96258771; Eh
10-Nov-2022	TS13	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2806.92389332; Eh
10-Nov-2022	7c	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4770.68386917; Eh
10-Nov-2022	TS6d	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2659.47953305; Eh
10-Nov-2022	5-R2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1578.51897691; Eh
10-Nov-2022	3-R2a	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1465.17740799; Eh
10-Nov-2022	22	Liu, Lin	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2471.45481171; Eh
10-Nov-2022	TS20	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1465.15125258; Eh
10-Nov-2022	TS22	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2520.37223232; Eh
10-Nov-2022	21	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2407.07507362; Eh

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