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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	TS-CO2RR	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1183.87453906; Eh
	30-Sep-2021	TS-CO2RR_EMIM	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1528.42346297; Eh
	30-Sep-2021	TS-HER_EMIM	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1493.17280717; Eh
	30-Sep-2021	TS-HER	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1148.62942889; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_trans_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-4320.09035170; 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	/TA_TT_energy_study Bach_iPr_TT_TS1_CBr3_log	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-9500.96821431; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_SiH3	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-2039.96069488; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_CBr3	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	RB3LYP	GENECP	-9500.95671670; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_Cl	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2208.86302262; Eh

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