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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/Bach_iPr_system Bach_iPr_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4320.15938303; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4320.15502039; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4320.13044882; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_fragmentation	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-31G(D) LANL2DZ GENECP	-4280.81033971; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-4280.84064246; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4280.77919553; Eh
	20-Jul-2022	/Davies_Me Davies_Me_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4356.02467828; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_cis_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GENECP	-4547.78535246; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4547.77588744; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_SM	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4547.73206337; Eh

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