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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Jul-2025	D__m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-4886.1344443; Eh
	17-Jul-2025	D_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UM06	GENECP	-4885.9860787; Eh
	17-Jul-2025	E_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	GENECP	-5117.5203123; Eh
	17-Jul-2025	TS1_major_B3D3	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVP	-4379.1582318; Eh
	22-Jul-2025	spx_Cu2Cl4-sing_20250722194212	Brandon, Laurence	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP	-5122.48789613074860; Eh
	22-Jul-2025	of_TS-1e-rev-CH-sing_20250722194500	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization TS	DFT	-	-5827.71718739171865; Eh
	22-Jul-2025	of_Cu2Cl4-sing_20250722194149	Brandon, Laurence	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	-	-5122.77251789456113; Eh
	20-May-2025	ts_CF3_addition_to_internal_carbon_radical_interm_Cl_4-phenyl-1-	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-1185.37914280; Eh
	20-May-2025	sp_radical_Br_interm_4-phenyl-1-butene	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-2962.6428504; Eh
	20-May-2025	sp_ts_SO2_release	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-3849.0969634; Eh

Results 361-370 of 12354 (Search time: 0.003 seconds).