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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/Davies_Me Davies_Me_CA_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4355.95318301; Eh
	20-Jul-2022	/Davies_Me Davies_Me_TA_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4355.95512276; Eh
	20-Jul-2022	/Davies_Me Davies_Me_CA_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4355.95318301; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_TT_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4280.75795019; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RB3LYP	GENECP	-14577.8622587; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_TA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RB3LYP	GENECP	-14577.8430934; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CT_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4280.75404494; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RB3LYP	GENECP	-4320.07636395; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_CA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	UB3LYP	GENECP	-4320.06127371; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_CT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RB3LYP	GENECP	-4320.07215131; Eh

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