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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_Ph Davies_Ph_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.72387225; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.70477871; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_TT_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.71836310; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_TA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.70477871; 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_Ph Davies_Ph_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.71836310; 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
	20-Jul-2022	/fDavies_Ph fDavies_Ph_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GENECP	-14577.9342630; Eh

Results 61-70 of 83 (Search time: 0.001 seconds).