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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-cl_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-732.043380874; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-cn_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-364.626173899; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-f_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-371.664914265; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-i_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G GENECP*	-283.216154884; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-nh2_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-327.680625059; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-och2ch3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-426.237560545; Eh
	30-Sep-2021	/Water/adducts_water/add_ch3c6h5 ch3c6h5-och3_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RB3LYP	6-311+G(D)	-386.908289694; Eh
	30-May-2021	/reaction_profiles/FcPPh2 NiBrdppfFcPPh2+rad_trip	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	UM06	6-311+G(D,P) GENECP	-10104.8882495; Eh
	1-Sep-2023	Complex-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-3038.4371745; Eh
	30-May-2021	/reaction_profiles/FcPPh2 NidppfFcPPh2BrR	Nelson, David	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	6-311+G(D,P) GENECP	-10104.8960823; Eh

Results 3831-3840 of 12842 (Search time: 0.004 seconds).