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Item hits:

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_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization TS	UB3LYP	GENECP	-4547.70286054; Eh
	20-Jul-2022	/Davies_Me Davies_Me_CA_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4355.95318301; 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	/fDavies_Ph fDavies_Ph_CT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-14577.8685222; 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_eth_system Bach_eth_TT_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4280.75795019; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	GENECP	-4280.77919553; Eh
	20-Jul-2022	/Davies_Me Davies_Me_TA_VTS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D) LANL2DZ GENECP	-4355.95519365; Eh
	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

Results 241-250 of 256 (Search time: 0.003 seconds).