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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_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevB.01	Single point Structure	RB3LYP	GENECP	-14577.8843920; Eh
	20-Jul-2022	/triplet_state Bach_iPr_TT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0249288; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CT_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0206186; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_TT_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-4320.07666870; 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	/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	/Bach_iPr_system Bach_iPr_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GENECP	-4320.06430740; Eh
	20-Jul-2022	/Bach_iPr_system Bach_iPr_CA_VTS1	Guo, Wentao	Gaussian; 16; AS64L-G16RevC.01	Single point Structure	RB3LYP	GENECP	-4320.06132602; 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	/Bach_iPr_system Bach_iPr_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RB3LYP	GENECP	-4320.07636395; Eh

Results 211-220 of 348 (Search time: 0.002 seconds).