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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	20-Jul-2022	/Davies_Ph Davies_Ph_CA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-4547.70312870; 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_Ph Davies_Ph_SM	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GENECP	-4547.73206337; 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
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_Cl	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-2208.85244919; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_Me	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RB3LYP	GENECP	-1788.58315082; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TA_TS1_I	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-1760.03506717; Eh

Results 201-210 of 348 (Search time: 0.001 seconds).