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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	/fDavies_Ph fDavies_Ph_fragmentation	Guo, Wentao	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.9156360; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_cis_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RB3LYP	GENECP	-14577.9435546; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_trans_lactone	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RB3LYP	GENECP	-14577.9342630; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_CT_TS2	Guo, Wentao	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-14577.8788407; 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	/fDavies_Ph fDavies_Ph_CA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-14577.8586183; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_TT_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RB3LYP	GENECP	-14577.8622587; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_TA_TS1	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RB3LYP	GENECP	-14577.8430934; Eh
	20-Jul-2022	/fDavies_Ph fDavies_Ph_SM	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RB3LYP	GENECP	-14577.8882695; Eh
	20-Jul-2022	/TA_TT_energy_study Bach_iPr_TT_TS1_SiH3	Guo, Wentao	Gaussian; 16; AS64L-G16RevC.01	Geometry optimization TS	RB3LYP	GENECP	-2039.96302181; Eh

Results 241-250 of 348 (Search time: 0.002 seconds).