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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/Davies_Me Davies_Me_CT_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-4355.96355296; Eh
	20-Jul-2022	/Davies_Me Davies_Me_trans_TS2	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	GEN	-4355.98072568; 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_cis_TS2	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	GEN	-4355.97960840; 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	/Davies_Ph Davies_Ph_cis_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	GENECP	-4547.78535246; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4547.77588744; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_cis_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GENECP	-4547.72715221; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_CT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UB3LYP	GENECP	-4547.71113927; Eh
	20-Jul-2022	/Davies_Ph Davies_Ph_CA_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	GENECP	-4547.70286054; Eh

Results 191-200 of 348 (Search time: 0.002 seconds).