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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2022	TS4	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1568.53311040; Eh
10-Nov-2022	6a	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2097.35625833; Eh
10-Nov-2022	TS5a	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2097.30432253; Eh
10-Nov-2022	3-7a	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3432.86071751; Eh
10-Nov-2022	7b	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3160.71429209; Eh
10-Nov-2022	TS6b	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-3160.69943002; Eh
10-Nov-2022	TS7	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-3432.83337410; Eh
10-Nov-2022	8_	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3432.84043851; Eh
10-Nov-2022	6b	Liu, Lin	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-3047.36470629; Eh
10-Nov-2022	8	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2920.31680144; Eh

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