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Collection hits:

Collection Name
Catalytic Scaffold-Hopping of Macrocycles via Photoinduced Ring

Item hits:

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-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
	5-Feb-2026	3‘_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1215.6663057; Eh
	5-Feb-2026	3_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1215.6843298; Eh
	5-Feb-2026	1_m06	Li, Yingzi	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-866.8576188; Eh
	5-Feb-2026	2_m06	Li, Yingzi	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-537.359556; Eh

Results 12231-12240 of 12354 (Search time: 0.009 seconds).