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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_Me Davies_Me_CA_TS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Minimum	RB3LYP	GENECP	-4355.95318301; Eh
	20-Jul-2022	/Davies_Me Davies_Me_SM	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	GEN	-4355.98891911; Eh
	20-Jul-2022	/triplet_state Bach_iPr_CA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4319.9902614; 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_TA_TS1_triplet	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	UB3LYP	GENECP	-4320.0069819; 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_eth_system Bach_eth_cis_lactone	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	GENECP	-4280.84064246; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CA_TS1_	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74246068; Eh
	20-Jul-2022	/Bach_eth_system Bach_eth_CA_VTS1	Guo, Wentao	Gaussian; 09; AM64L-G09RevD.01	Single point Structure	RB3LYP	GENECP	-4280.74246068; Eh

Results 181-190 of 256 (Search time: 0.001 seconds).