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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Apr-2025	B	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ LANL2DZ GEN	-4878.55791395; Eh
	11-Apr-2025	TS3	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	CC-PVDZ GEN	-3745.21428084; Eh
	11-Apr-2025	DIPEA	Puggioli, Alessio	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	CC-PVDZ GEN	-371.089600163; 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	spx_I-1e-sing_20250722195539	Brandon, Laurence	Orca; 6.0.0; RELEASE	Single point	DFT	def2-QZVP	-5744.41016936811775; Eh
	20-May-2025	opt_cyc-III	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	DEF2SVP	-1312.22393369; Eh
	20-May-2025	sp_²cyc-II	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UB3LYP	DEF2TZVPP	-1015.2344068; Eh
	20-May-2025	radical_intermediate_Cl_internal_carbon_4-phenyl-1-butene	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	UB3LYP	DEF2SVP	-848.085890000; Eh
	20-May-2025	ts_CF3_addition_to_radical_interm_Cl_4-phenyl-1-butene	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-1185.38474050; Eh
	20-May-2025	ts_CF3_addition_to_internal_carbon_4-phenyl-1-butene	Rocha Guimaraes, Ana Beatriz	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	UB3LYP	DEF2SVP	-725.348646043; Eh

Results 11881-11890 of 12948 (Search time: 0.01 seconds).