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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Jan-2021	Y7	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	RP1_-cuhfacac_	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
9-Jan-2021	RP3-cuhfacac	Kojasoy, Volga	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UB3LYP	GENECP	-
20-Jul-2022	/Bach_iPr_system Bach_iPr_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4320.15502039; Eh
20-Jul-2022	/Bach_iPr_system Bach_iPr_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4320.13044882; Eh
20-Jul-2022	/Bach_iPr_system Bach_iPr_cis_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UB3LYP	GENECP	-4320.08731113; Eh
20-Jul-2022	/triplet_state Bach_iPr_TA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0069819; Eh
20-Jul-2022	/Davies_Me Davies_Me_fragmentation	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4356.02467828; 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_cis_TS2	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	GEN	-4355.97960840; Eh

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