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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Nov-2022	TS9	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-3432.83134118; Eh
10-Nov-2022	NaOtBu	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	-	6-31G(D,P)	-395.408010139; Eh
10-Nov-2022	1	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-734.167267187; Eh
10-Nov-2022	TS2A	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1954.88595845; Eh
10-Nov-2022	4	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-1335.43048978; Eh
10-Nov-2022	TS3A	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2188.02163581; Eh
10-Nov-2022	TS2	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1335.40421481; Eh
10-Nov-2022	TS3	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1568.53292022; Eh
10-Nov-2022	TS4A	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2070.02878958; Eh
10-Nov-2022	5’A	Liu, Lin	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-2188.09064040; Eh

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