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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_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4356.04632807; Eh
	20-Jul-2022	/Davies_Me Davies_Me_SM	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4355.98891911; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GENECP	-4547.78603887; Eh
	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_Ph Davies_Ph_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4547.71836310; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4319.9902614; Eh

Results 141-149 of 149 (Search time: 0.001 seconds).