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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_eth_system Bach_eth_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-4280.84268342; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-4280.77041309; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-4280.74577441; 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	/Bach_eth_system Bach_eth_TA_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74571670; Eh
	20-Jul-2022	/Davies_Me Davies_Me_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-4355.95519365; Eh
	20-Jul-2022	/Davies_Me Davies_Me_TT_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-4355.96659733; Eh
	20-Jul-2022	/Davies_Me Davies_Me_TT_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4355.96656123; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_fragmentation	Guo, Wentao	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.9156360; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_cis_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.9435546; Eh

Results 71-80 of 185 (Search time: 0.002 seconds).