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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/fDavies_Ph fDavies_Ph_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RB3LYP	GENECP	-14577.8622587; 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	/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	/Davies_Ph Davies_Ph_CT_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-4547.71118061; Eh
	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_cis_TS2	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	GEN	-4355.97960840; 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	/TA_TT_energy_study Bach_iPr_TT_TS1_I	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; 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_Me Davies_Me_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4356.04632807; Eh

Results 231-240 of 256 (Search time: 0.002 seconds).