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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2024	ar3m2obn_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1731.15558334; Eh
	28-Aug-2024	SP_flno2_cat_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1180.309293; Eh
	28-Aug-2024	ar3m2cnoac_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1705.67440492; Eh
	28-Aug-2024	cnoac_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-359.984202811; Eh
	28-Aug-2024	SP_fl_rad	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(D,P)	-771.3876836; Eh
	28-Aug-2024	UVrefdiarcn_rad_MeButa_cam	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UCAM-B3LYP; TD-FC	6-311+G(D,P)	-823.087017; Eh
	28-Aug-2024	ar2dmnome_rad_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	6-31G(D)	-750.506478289; Eh
	28-Aug-2024	SP_ar2dmn2obn_meoh	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1271.5835278; Eh
	28-Aug-2024	SP_ar2dmn2mln_PMMA	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P)	-1033.9682266; Eh
	28-Aug-2024	ar2dmn2mln_MeButa	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G(D)	-1033.70030856; Eh

Results 90911-90920 of 91738 (Search time: 0.043 seconds).