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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_cis_iso_lac	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.9351246; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_CA_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8599318; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_iso_frag	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.9195104; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_TA_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8509735; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_iso_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.8885269; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_cis_iso_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8790084; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_CT_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8726319; Eh
	6-Oct-2023	/fDavies_Ph_correct_isomer fDavies_Ph_TT_iso_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8650826; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4320.15938303; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.04747621; Eh

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