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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_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_TA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GENECP	-4320.06430740; 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
	20-Jul-2022	/Bach_iPr_system Bach_iPr_TT_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-4320.07666870; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_CT_VTS1	Guo, Wentao	Gaussian; 16; AS64L-G16RevC.01	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-4320.07227433; 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_iPr_system Bach_iPr_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GENECP	-4320.06430740; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_cis_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4280.76862866; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CA_TS1_	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74246068; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CA_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74246068; Eh

Results 11-20 of 175 (Search time: 0.002 seconds).